Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1AJY

Summary
Name:3-ethenyl-1-methyl-pyridine
Formula:C8 H10 N
Formal charge:1
Formula weight:120.172 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-ethenyl-1-methylpyridin-1-ium
OpenEye OEToolkits2.0.73-ethenyl-1-methyl-pyridin-1-ium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C[n+]1cccc(C=C)c1
InChIInChI1.06InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1
InChIKeyInChI1.06WVZHSQIASVAADH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[n+]1cccc(C=C)c1
SMILESCACTVS3.385C[n+]1cccc(C=C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7C[n+]1cccc(c1)C=C
SMILESOpenEye OEToolkits2.0.7C[n+]1cccc(c1)C=C

225946

PDB entries from 2024-10-09

PDB statisticsPDBj update infoContact PDBjnumon