1-(3-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]methanesulfonamide

Systemtic Name: 1-(3-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]methanesulfonamide Openeye Name: 1-(m-tolyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]methanesulfonamide CAS Name: 1-(3-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-(3-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]methanesulfonamide Traditional Name: 1-(m-tolyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]methanesulfonamide Formula: C19H27N2O2S2+ MolecularWeight: 379.55988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H26N2O2S2/c1-16-4-2-5-18(12-16)15-25(22,23)20-13-17-7-9-21(10-8-17)14-19-6-3-11-24-19/h2-6,11-12,17,20H,7-10,13-15H2,1H3/p+1