4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 2-isobutyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-13(2)12-22-17(23)15-7-5-4-6-14(15)16(19-22)18(24)21-10-8-20(3)9-11-21/h4-7,13H,8-12H2,1-3H3/p+1