4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2/c21-15-5-3-4-14(12-15)13-24-8-10-25(11-9-24)20(27)18-16-6-1-2-7-17(16)19(26)23-22-18/h1-7,12H,8-11,13H2,(H,23,26)/p+1