4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,19,23,24)/p+1