4-(4-methylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]phthalazin-1-one Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]phthalazin-1-one Traditional Name: 2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N4O2/c1-17-7-9-18(10-8-17)22-19-5-3-4-6-20(19)23(29)27(24-22)12-11-21(28)26-15-13-25(2)14-16-26/h3-10H,11-16H2,1-2H3/p+1