3,4-dimethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C19H27N2O4S2+ MolecularWeight: 411.55868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OC

InChI

InChI=1S/C19H26N2O4S2/c1-24-18-6-5-17(12-19(18)25-2)27(22,23)20-13-15-7-9-21(10-8-15)14-16-4-3-11-26-16/h3-6,11-12,15,20H,7-10,13-14H2,1-2H3/p+1