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

Systemtic Name: N-methyl-4-oxidanylidene-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Formula: C20H24N6O2+2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N6O2/c1-21-19(27)18-15-6-2-3-7-16(15)20(28)26(23-18)14-24-10-12-25(13-11-24)17-8-4-5-9-22-17/h2-9H,10-14H2,1H3,(H,21,27)/p+2