BENZYL(3-HEXADECAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H51N2O.Cl
Molecular Weight	467.17
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYL(3-HEXADECAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=FCWLLOCBTJAGDE-UHFFFAOYSA-N

InChI=1S/C28H50N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28(31)29-24-20-25-30(2,3)26-27-21-17-16-18-22-27;/h16-18,21-22H,4-15,19-20,23-26H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	C28H51N2O
Molecular Weight	431.7173
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 11:22:26 GMT 2023` Edited by `admin` on `Sat Dec 16 11:22:26 GMT 2023`
Record UNII	TSK2Q7D29S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYL(3-HEXADECAMIDOPROPYL)DIMETHYLAMMONIUM CHLORIDE

Systematic Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(3-((1-OXOHEXADECYL)AMINO)PROPYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

3017620