N,N-dimethyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N,N-dimethyl-benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-23(2)29(27,28)21-11-8-19(9-12-21)10-13-22(26)25-16-14-24(15-17-25)18-20-6-4-3-5-7-20/h3-9,11-12H,10,13-18H2,1-2H3/p+1