4-ethoxy-3-fluoranyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C19H26FN2O3S2+ MolecularWeight: 413.549743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN2O3S2/c1-2-25-19-6-5-17(12-18(19)20)27(23,24)21-13-15-7-9-22(10-8-15)14-16-4-3-11-26-16/h3-6,11-12,15,21H,2,7-10,13-14H2,1H3/p+1