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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC4=C(C=CC=N4)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC4=C(C=CC=N4)C(=O)N

InChI

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