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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N4O2/c1-12(2)21-16(22)14-7-5-4-6-13(14)15(18-21)17(23)20-10-8-19(3)9-11-20/h4-7,12H,8-11H2,1-3H3/p+1