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

Systemtic Name: 2-azanyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide CAS Name: 2-amino-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]isonicotinamide Formula: C21H25N7O+2 MolecularWeight: 391.4695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O/c22-18-14-16(6-9-23-18)21(29)26-15-17-4-3-8-25-20(17)28-12-10-27(11-13-28)19-5-1-2-7-24-19/h1-9,14H,10-13,15H2,(H2,22,23)(H,26,29)/p+2