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

275

Summary
Name:5-amino-1,2-dimethylpyridinium
Formula:C7 H11 N2
Formal charge:1
Formula weight:123.176 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-amino-1,2-dimethylpyridinium
OpenEye OEToolkits1.5.01,6-dimethylpyridin-1-ium-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Nc1c[n+](c(cc1)C)C
SMILES_CANONICALCACTVS3.341Cc1ccc(N)c[n+]1C
SMILESCACTVS3.341Cc1ccc(N)c[n+]1C
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(c[n+]1C)N
SMILESOpenEye OEToolkits1.5.0Cc1ccc(c[n+]1C)N
InChIInChI1.03InChI=1S/C7H11N2/c1-6-3-4-7(8)5-9(6)2/h3-5H,8H2,1-2H3/q+1
InChIKeyInChI1.03FRIAZNRYPWQFFM-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon