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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-23-11-13-24(14-12-23)21(27)19-17-9-5-6-10-18(17)20(26)25(22-19)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1