2-methyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-phthalazinone IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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