1-[(2-chlorophenyl)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-6-oxopyridine-3-carboxamide Traditional Name: 1-(2-chlorobenzyl)-6-keto-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]nicotinamide Formula: C24H27ClN5O2+ MolecularWeight: 452.95648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN5O2/c1-28-10-12-29(13-11-28)22-8-6-18(14-26-22)15-27-24(32)20-7-9-23(31)30(17-20)16-19-4-2-3-5-21(19)25/h2-9,14,17H,10-13,15-16H2,1H3,(H,27,32)/p+1