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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22ClN.ClH
Molecular Weight 312.277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL-3-(4-CHLOROPHENYL)-1-AZABICYCLO(2.2.2)OCT-2-ENE HYDROCHLORIDE

SMILES

Cl.CCCCC1=C(C2CCN1CC2)C3=CC=C(Cl)C=C3

InChI

InChIKey=JVMSTEGFOJJZSU-UHFFFAOYSA-N
InChI=1S/C17H22ClN.ClH/c1-2-3-4-16-17(13-5-7-15(18)8-6-13)14-9-11-19(16)12-10-14;/h5-8,14H,2-4,9-12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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 C17H22ClN
Molecular Weight 275.816
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

Approval Year

Substance Class Chemical
Record UNII
G54N7D96CN
Record Status Validated (UNII)
Record Version