1-Phenethyl-2-picolinium bromide

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H16N.Br
Molecular Weight	278.188
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Phenethyl-2-picolinium bromide

Structure Search

SMILES

[Br-].CC1=CC=CC=[N+]1CCC2=CC=CC=C2

InChI

InChIKey=AYHBRSKXFVQPPX-UHFFFAOYSA-M

InChI=1S/C14H16N.BrH/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14;/h2-9,11H,10,12H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C14H16N
Molecular Weight	198.2835
Charge	1
Count

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

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 12:37:54 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:54 GMT 2023`
Record UNII	BQM36L4XXF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-Phenethyl-2-picolinium bromide

Systematic Name

English

2-Picolinium, 1-phenethyl-, bromide

Systematic Name

English

Pyridinium, 2-methyl-1-(2-phenylethyl)-, bromide

Systematic Name

English

Pyridinium, 2-methyl-1-(2-phenylethyl)-, bromide (1:1)

Systematic Name

English

NSC-35717

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

234-134-8

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY

FDA UNII

BQM36L4XXF

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY

NSC

35717

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY

EPA CompTox

DTXSID50884493

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY

PUBCHEM

82720

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY

CAS

10551-21-0

Created by admin on Sat Dec 16 12:37:54 GMT 2023 , Edited by admin on Sat Dec 16 12:37:54 GMT 2023

PRIMARY