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Details

Stereochemistry ACHIRAL
Molecular Formula C9H14NO.Br
Molecular Weight 232.118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYPHENYLTRIMETHYLAMMONIUM BROMIDE

SMILES

[Br-].C[N+](C)(C)C1=CC(O)=CC=C1

InChI

InChIKey=MKRZGVCMTCPWHY-UHFFFAOYSA-N
InChI=1S/C9H13NO.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13NO
Molecular Weight 151.2056
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
8BBF2W6V08
Record Status Validated (UNII)
Record Version