1-(5,5,7,7-TETRAMETHYL-2-OCTANYL)-2-METHYL-5-ETHYLPYRIDINIUM CHL

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H36N.Cl
Molecular Weight	325.96
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(5,5,7,7-TETRAMETHYL-2-OCTANYL)-2-METHYL-5-ETHYLPYRIDINIUM CHL

Structure Search

SMILES

[Cl-].CCC1=C[N+](C(C)CCC(C)(C)CC(C)(C)C)=C(C)C=C1

InChI

InChIKey=XZTPBDZTQNLDOX-UHFFFAOYSA-M

InChI=1S/C20H36N.ClH/c1-9-18-11-10-16(2)21(14-18)17(3)12-13-20(7,8)15-19(4,5)6;/h10-11,14,17H,9,12-13,15H2,1-8H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula	C20H36N
Molecular Weight	290.5065
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 `Sat Dec 16 08:29:46 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:46 GMT 2023`
Record UNII	54UE9O917V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(5,5,7,7-TETRAMETHYL-2-OCTANYL)-2-METHYL-5-ETHYLPYRIDINIUM CHL

Common Name

English

PYRIDINIUM, 5-ETHYL-2-METHYL-1-(1,4,4,6,6-PENTAMETHYLHEPTYL)-, CHLORIDE (1:1)

Systematic Name

English

PYRIDINIUM, 5-ETHYL-2-METHYL-1-(1,4,4,6,6-PENTAMETHYLHEPTYL)-, CHLORIDE

Systematic Name

English

1-(5,5,7,7-TETRAMETHYL-2-OCTANYL)-2-METHYL-5-ETHYLPYRIDINIUM CHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

54UE9O917V

Created by admin on Sat Dec 16 08:29:46 GMT 2023 , Edited by admin on Sat Dec 16 08:29:46 GMT 2023

PRIMARY

CAS

10031-58-0

Created by admin on Sat Dec 16 08:29:46 GMT 2023 , Edited by admin on Sat Dec 16 08:29:46 GMT 2023

PRIMARY

PUBCHEM

111993

Created by admin on Sat Dec 16 08:29:46 GMT 2023 , Edited by admin on Sat Dec 16 08:29:46 GMT 2023

PRIMARY

EPA CompTox

DTXSID80905347

Created by admin on Sat Dec 16 08:29:46 GMT 2023 , Edited by admin on Sat Dec 16 08:29:46 GMT 2023

PRIMARY