ISOSTEARAMINOPROPALKONIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H55N2O.Cl
Molecular Weight	495.223
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOSTEARAMINOPROPALKONIUM CHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=NXQFUHDNRBQQAE-UHFFFAOYSA-N

InChI=1S/C30H54N2O.ClH/c1-28(2)21-16-13-11-9-7-5-6-8-10-12-14-19-24-30(33)31-25-20-26-32(3,4)27-29-22-17-15-18-23-29;/h15,17-18,22-23,28H,5-14,16,19-21,24-27H2,1-4H3;1H

HIDE SMILES / InChI

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

Molecular Formula	C30H55N2O
Molecular Weight	459.7705
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:21:22 GMT 2025` Edited by `admin` on `Tue Apr 01 16:21:22 GMT 2025`
Record UNII	08592GAU19
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSTEARAMINOPROPALKONIUM CHLORIDE

Official Name

English

BENZYLDIMETHYL(3-((1-OXOISOOCTADECYL)AMINO)PROPYL)AMMONIUM CHLORIDE

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

105490