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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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