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

HBP

Summary
Name:1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME
Formula:C19 H26 N4 O2
Formal charge:2
Formula weight:342.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,1'-heptane-1,7-diylbis{2-[(E)-(hydroxyimino)methyl]pyridinium}
OpenEye OEToolkits1.5.0(NE)-N-[[1-[7-[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O\N=C\c1[n+](cccc1)CCCCCCC[n+]2ccccc2\C=N\O
SMILES_CANONICALCACTVS3.341O\N=C\c1cccc[n+]1CCCCCCC[n+]2ccccc2\C=N\O
SMILESCACTVS3.341ON=Cc1cccc[n+]1CCCCCCC[n+]2ccccc2C=NO
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O
SMILESOpenEye OEToolkits1.5.0c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO
InChIInChI1.03InChI=1S/C19H24N4O2/c24-20-16-18-10-4-8-14-22(18)12-6-2-1-3-7-13-23-15-9-5-11-19(23)17-21-25/h4-5,8-11,14-17H,1-3,6-7,12-13H2/p+2
InChIKeyInChI1.03NJSMUQMHXZRXQC-UHFFFAOYSA-P

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon