1-(2-((Z)-HEXADEC-9-ENAMIDO)ETHYL)-1-METHYL-2-((Z)-PENTADEC-8-EN-1-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-IUM METHYL SULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C37H70N3O.CH3O4S
Molecular Weight	684.068
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 1-(2-((Z)-HEXADEC-9-ENAMIDO)ETHYL)-1-METHYL-2-((Z)-PENTADEC-8-EN-1-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-IUM METHYL SULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\C=C/CCCCCC

InChI

InChIKey=NZOXXXOFOUQADB-MGTLNPTPSA-N

InChI=1S/C37H69N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h14-17H,4-13,18-35H2,1-3H3;1H3,(H,2,3,4)/b16-14-,17-15-;

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	C37H70N3O
Molecular Weight	572.9712
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:34:50 GMT 2025` Edited by `admin` on `Mon Mar 31 23:34:50 GMT 2025`
Record UNII	9MEV4YH951
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-DIHYDRO-1-METHYL-2-NORPALMITOLEYL-1-(2-PALMITOLEYL AMIDOETHYL)IMIDAZOLIUM COMPOUNDS, METHYL SULFATE

Preferred Name

English

1-(2-((Z)-HEXADEC-9-ENAMIDO)ETHYL)-1-METHYL-2-((Z)-PENTADEC-8-EN-1-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-IUM METHYL SULFATE

Systematic Name

English

Code System Code Type Description

FDA UNII

9MEV4YH951

Created by admin on Mon Mar 31 23:34:50 GMT 2025 , Edited by admin on Mon Mar 31 23:34:50 GMT 2025

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PUBCHEM

139032950

Created by admin on Mon Mar 31 23:34:50 GMT 2025 , Edited by admin on Mon Mar 31 23:34:50 GMT 2025

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