3-fluoranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)F)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=CC(=C2)F)[NH+]3CCCCC3

InChI

InChI=1S/C20H25FN2O3S/c1-26-18-10-8-16(9-11-18)20(23-12-3-2-4-13-23)15-22-27(24,25)19-7-5-6-17(21)14-19/h5-11,14,20,22H,2-4,12-13,15H2,1H3/p+1/t20-/m0/s1