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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3H-phthalazine-1-carboxamide Formula: C19H21N6O2+ MolecularWeight: 365.40904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H20N6O2/c1-24-8-10-25(11-9-24)16-7-6-13(12-20-16)21-19(27)17-14-4-2-3-5-15(14)18(26)23-22-17/h2-7,12H,8-11H2,1H3,(H,21,27)(H,23,26)/p+1