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

Systemtic Name: 2-ethoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 2-ethoxy-5-methyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 2-ethoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-ethoxy-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 2-ethoxy-5-methyl-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:

CCOC1=C(C=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

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