2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-phenyl-phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-24-13-15-25(16-14-24)20(27)11-12-26-22(28)19-10-6-5-9-18(19)21(23-26)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1