4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-3,5-dimethyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-3,5-dimethyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C20H29N2O3S2+ MolecularWeight: 409.58586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H28N2O3S2/c1-15-11-19(12-16(2)20(15)25-3)27(23,24)21-13-17-6-8-22(9-7-17)14-18-5-4-10-26-18/h4-5,10-12,17,21H,6-9,13-14H2,1-3H3/p+1