2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide Openeye Name: 2-(4-methoxyphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide CAS Name: 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]ethanesulfonamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide Traditional Name: 2-(4-methoxyphenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide Formula: C20H29N2O3S2+ MolecularWeight: 409.58586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S2/c1-25-19-6-4-17(5-7-19)10-14-27(23,24)21-15-18-8-11-22(12-9-18)16-20-3-2-13-26-20/h2-7,13,18,21H,8-12,14-16H2,1H3/p+1