N-(4-fluorophenyl)-4-methyl-N-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-4-methyl-N-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-benzenesulfonamide Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C[NH+]2CCCCC2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN2O3S/c1-17-5-11-21(12-6-17)28(26,27)24(19-9-7-18(22)8-10-19)16-20(25)15-23-13-3-2-4-14-23/h5-12,20,25H,2-4,13-16H2,1H3/p+1/t20-/m1/s1