3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxophthalazin-1-olate Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-phthalazin-1-olate Formula: C19H19ClN4O2 MolecularWeight: 370.83276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H19ClN4O2/c20-14-4-3-5-15(12-14)23-10-8-22(9-11-23)13-24-19(26)17-7-2-1-6-16(17)18(25)21-24/h1-7,12H,8-11,13H2,(H,21,25)