2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-phthalazin-1-one Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-23-11-13-24(14-12-23)15-16-25-21(26)19-10-6-5-9-18(19)20(22-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+2