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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N.I
Molecular Weight 297.1349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYPERQUAT IODIDE

SMILES

[I-].C[N+]1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=RFDFRDXIIKROAI-UHFFFAOYSA-M
InChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H12N
Molecular Weight 170.2304
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:05:24 UTC 2023
Edited
by admin
on Fri Dec 15 20:05:24 UTC 2023
Record UNII
N708D004VE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYPERQUAT IODIDE
Common Name English
1-METHYL-4-PHENYLPYRIDINIUM IODIDE
Systematic Name English
PYRIDINIUM, 1-METHYL-4-PHENYL-, IODIDE (1:1)
Systematic Name English
N-METHYL-4-PHENYLPYRIDINIUM IODIDE
Systematic Name English
PYRIDINIUM, 1-METHYL-4-PHENYL-, IODIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
10924457
Created by admin on Fri Dec 15 20:05:24 UTC 2023 , Edited by admin on Fri Dec 15 20:05:24 UTC 2023
PRIMARY
CAS
36913-39-0
Created by admin on Fri Dec 15 20:05:24 UTC 2023 , Edited by admin on Fri Dec 15 20:05:24 UTC 2023
PRIMARY
FDA UNII
N708D004VE
Created by admin on Fri Dec 15 20:05:24 UTC 2023 , Edited by admin on Fri Dec 15 20:05:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID40880040
Created by admin on Fri Dec 15 20:05:24 UTC 2023 , Edited by admin on Fri Dec 15 20:05:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE