BENZYL(3-OLEAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H53N2O.Cl
Molecular Weight	493.208
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of BENZYL(3-OLEAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=WFGZPNYNBFKOOW-AFEZEDKISA-N

InChI=1S/C30H52N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h11-12,18-20,23-24H,4-10,13-17,21-22,25-28H2,1-3H3;1H/b12-11-;

HIDE SMILES / InChI

Molecular Formula	C30H53N2O
Molecular Weight	457.7546
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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 `Sat Dec 16 11:22:27 GMT 2023` Edited by `admin` on `Sat Dec 16 11:22:27 GMT 2023`
Record UNII	P48GI4F1J2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYL(3-OLEAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Systematic Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(3-((1-OXO-9-OCTADECENYL)AMINO)PROPYL)-, CHLORIDE, (Z)-

Systematic Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(3-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)PROPYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30887366