N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]nicotinamide Formula: C21H24N6O+2 MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O/c28-21(18-6-3-8-22-15-18)25-16-17-5-4-10-24-20(17)27-13-11-26(12-14-27)19-7-1-2-9-23-19/h1-10,15H,11-14,16H2,(H,25,28)/p+2