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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-pyridine-3-carboxamide Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2/c1-20-6-8-21(9-7-20)14-4-3-13(11-17-14)19-16(23)12-2-5-15(22)18-10-12/h2-5,10-11H,6-9H2,1H3,(H,18,22)(H,19,23)/p+1