QUATERNIUM-91

Details

Stereochemistry	RACEMIC
Molecular Formula	C50H100N3O.CH3O4S
Molecular Weight	870.446
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChIKey=RVQMVKJGJJJGBA-UHFFFAOYSA-N

InChI=1S/C50H99N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-49-51-45-47-53(49,3)48-46-52-50(54)44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-48H2,1-3H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

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

Molecular Formula	C50H100N3O
Molecular Weight	759.3485
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:12:28 GMT 2025` Edited by `admin` on `Wed Apr 02 18:12:28 GMT 2025`
Record UNII	00J8H295NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUATERNIUM-91

Official Name

English

QUATERNIUM 91

Preferred Name

English

Code System Code Type Description

DAILYMED

00J8H295NB