N-(2-HYDROXYETHYL)-N,N-DIMETHYL-2,3-BIS(TETRADECYLOXY)-1-PROPANIMINIUM BROMIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C35H74NO3.Br
Molecular Weight	636.871
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-HYDROXYETHYL)-N,N-DIMETHYL-2,3-BIS(TETRADECYLOXY)-1-PROPANIMINIUM BROMIDE

Structure Search

SMILES

[Br-].CCCCCCCCCCCCCCOCC(C[N+](C)(C)CCO)OCCCCCCCCCCCCCC

InChI

InChIKey=WALUVDCNGPQPOD-UHFFFAOYSA-M

InChI=1S/C35H74NO3.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-38-34-35(33-36(3,4)29-30-37)39-32-28-26-24-22-20-18-16-14-12-10-8-6-2;/h35,37H,5-34H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C35H73NO3
Molecular Weight	555.959
Charge	0
Count

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

Molecular Formula	BrH
Molecular Weight	80.912
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 08:53:37 GMT 2023` Edited by `admin` on `Sat Dec 16 08:53:37 GMT 2023`
Record UNII	PJ9GNX9BOP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-HYDROXYETHYL)-N,N-DIMETHYL-2,3-BIS(TETRADECYLOXY)-1-PROPANIMINIUM BROMIDE

Common Name

English

1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-2,3-BIS(TETRADECYLOXY)-, BROMIDE (1:1)

Systematic Name

English

DMRIE-BR

Common Name

English

(±)-N-(2-HYDROXYETHYL)-N,N-DIMETHYL-2,3-BIS(TETRADECYLOXY)-1-PROPANIMINIUM BROMIDE

Common Name

English

DMRIE BR

Common Name

English

Code System Code Type Description

CAS

153312-64-2