N-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-phthalazine-1-carboxamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c1-23-11-13-24(14-12-23)22-19(26)18-16-9-5-6-10-17(16)20(27)25(21-18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,26)/p+1