ETHYLHEXADECYLDIMETHYLAMMONIUM 4-OCTYLPHENOLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H44N.C14H21O
Molecular Weight	503.886
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYLHEXADECYLDIMETHYLAMMONIUM 4-OCTYLPHENOLATE

Structure Search

SMILES

CCCCCCCCC1=CC=C([O-])C=C1.CCCCCCCCCCCCCCCC[N+](C)(C)CC

InChI

InChIKey=SMKARVCTVFJWGT-UHFFFAOYSA-M

InChI=1S/C20H44N.C14H22O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h5-20H2,1-4H3;9-12,15H,2-8H2,1H3/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C14H21O
Molecular Weight	205.3159
Charge	-1
Count

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

Molecular Formula	C20H44N
Molecular Weight	298.5701
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 12:11:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:11:55 GMT 2023`
Record UNII	98FA69LG7T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYLHEXADECYLDIMETHYLAMMONIUM 4-OCTYLPHENOLATE

Systematic Name

English

1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, 4-OCTYLPHENOXIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30240876