2-[[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)Cl

InChI

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