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

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H27FN2O3S/c1-2-27-21-9-8-19(14-20(21)22)28(25,26)23-15-17-10-12-24(13-11-17)16-18-6-4-3-5-7-18/h3-9,14,17,23H,2,10-13,15-16H2,1H3/p+1