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

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-3H-phthalazine-1-carboxamide Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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