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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N4O2/c25-19-17-9-5-4-8-16(17)18(21-22-19)20(26)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)/p+1