3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C18H19ClN5O+ MolecularWeight: 356.82936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H18ClN5O/c19-14-4-3-5-15(12-14)23-10-8-22(9-11-23)13-24-18(25)16-6-1-2-7-17(16)20-21-24/h1-7,12H,8-11,13H2/p+1