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Details

Stereochemistry ACHIRAL
Molecular Formula C37H67N2O2.Cl
Molecular Weight 607.393
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHOXYCINNAMIDOPROPYL BEHENDIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)\C=C\C1=CC=C(OC)C=C1

InChI

InChIKey=ZMTZCYSJGOJIAB-KAHIUYCRSA-N
InChI=1S/C37H66N2O2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-39(2,3)34-25-32-38-37(40)31-28-35-26-29-36(41-4)30-27-35;/h26-31H,5-25,32-34H2,1-4H3;1H/b31-28+;

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 C37H67N2O2
Molecular Weight 571.9401
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
IM2H0V13N9
Record Status Validated (UNII)
Record Version