ISOSTEARYL BENZYLIMIDONIUM CHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H51N2O.Cl
Molecular Weight	479.181
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOSTEARYL BENZYLIMIDONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2

InChI

InChIKey=IZHSCDOXRKNGBC-UHFFFAOYSA-M

InChI=1S/C29H51N2O.ClH/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28;/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C29H50N2O
Molecular Weight	442.7201
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:15:16 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:16 GMT 2025`
Record UNII	C1P094Q60B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSTEARYL BENZYLIMIDONIUM CHLORIDE

Official Name

English

1H-IMIDAZOLIUM, 4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-(15-METHYLHEXADECYL)-1-(PHENYLMETHYL)-, CHLORIDE (1:1)

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

283-429-8

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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FDA UNII

C1P094Q60B

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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CAS

84625-60-5

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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PUBCHEM

105488

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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