2-methoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 2-methoxy-5-methyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 2-methoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 2-methoxy-5-methyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C19H27N2O3S2+ MolecularWeight: 395.55928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H26N2O3S2/c1-15-5-6-18(24-2)19(12-15)26(22,23)20-13-16-7-9-21(10-8-16)14-17-4-3-11-25-17/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3/p+1