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

Systemtic Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one Formula: C19H20ClN4O+ MolecularWeight: 355.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18-16-3-1-2-4-17(16)19(25)22-21-18/h1-8H,9-13H2,(H,22,25)/p+1