BENZYL(HEXADECYL)DIMETHYLAMMONIUM PHENOXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H46N.C6H5O
Molecular Weight	453.7427
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYL(HEXADECYL)DIMETHYLAMMONIUM PHENOXIDE

Structure Search

SMILES

[O-]C1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+](C)(C)CC2=CC=CC=C2

InChI

InChIKey=KULWUUZTWCQHHM-UHFFFAOYSA-M

InChI=1S/C25H46N.C6H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;7-6-4-2-1-3-5-6/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1-5,7H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C6H5O
Molecular Weight	93.1033
Charge	-1
Count

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

Molecular Formula	C25H46N
Molecular Weight	360.6394
Charge	1
Count

Stereochemistry	RACEMIC
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 13:14:23 GMT 2023` Edited by `admin` on `Sat Dec 16 13:14:23 GMT 2023`
Record UNII	B3SQ6AP438
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYL(HEXADECYL)DIMETHYLAMMONIUM PHENOXIDE

Systematic Name

English

BENZENEMETHANAMINIUM, N-HEXADECYL-N,N-DIMETHYL-, PHENOXIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

44151618