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K27

Summary
Name:4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
Formula:C15 H18 N4 O2
Formal charge:2
Formula weight:286.329 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
OpenEye OEToolkits1.6.11-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc2)N
SMILES_CANONICALCACTVS3.352NC(=O)c1cc[n+](CCC[n+]2ccc(cc2)/C=N/O)cc1
SMILESCACTVS3.352NC(=O)c1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1
SMILES_CANONICALOpenEye OEToolkits1.6.1c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N
SMILESOpenEye OEToolkits1.6.1c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C(=O)N
InChIInChI1.03InChI=1S/C15H16N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-12H,1,6-7H2,(H-,16,20)/p+2
InChIKeyInChI1.03KCCVYOKFPFWMQG-UHFFFAOYSA-P

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PDB entries from 2024-07-17

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