N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyridine-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyridine-2-carboxamide CAS Name: N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyridinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyridine-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]picolinamide Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H24N4O2/c29-23(22-12-6-7-13-25-22)26-21-11-5-4-10-20(21)24(30)28-16-14-27(15-17-28)18-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,26,29)/p+1