2-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

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