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

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-phenyl-phthalazin-1-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-23-11-13-24(14-12-23)19(26)15-25-21(27)18-10-6-5-9-17(18)20(22-25)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1