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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)21-18-5-3-4-6-19(18)22(28)26(23-21)15-20(27)25-13-11-24(2)12-14-25/h3-10H,11-15H2,1-2H3/p+1