U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14N
Molecular Weight 136.2142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of N-BUTYLPYRIDINIUM CATION

SMILES

CCCC[N+]1=CC=CC=C1

InChI

InChIKey=REACWASHYHDPSQ-UHFFFAOYSA-N
InChI=1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1

HIDE SMILES / InChI

Molecular Formula C9H14N
Molecular Weight 136.2142
Charge 1
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 09:41:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:50 GMT 2023
Record UNII
D4EK02EZ82
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BUTYLPYRIDINIUM CATION
Common Name English
N-BUTYLPYRIDINIUM
Systematic Name English
1-BUTYLPYRIDINIUM
Systematic Name English
Code System Code Type Description
PUBCHEM
193832
Created by admin on Sat Dec 16 09:41:50 GMT 2023 , Edited by admin on Sat Dec 16 09:41:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID5048005
Created by admin on Sat Dec 16 09:41:50 GMT 2023 , Edited by admin on Sat Dec 16 09:41:50 GMT 2023
PRIMARY
CAS
45806-95-9
Created by admin on Sat Dec 16 09:41:50 GMT 2023 , Edited by admin on Sat Dec 16 09:41:50 GMT 2023
PRIMARY
FDA UNII
D4EK02EZ82
Created by admin on Sat Dec 16 09:41:50 GMT 2023 , Edited by admin on Sat Dec 16 09:41:50 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY