N-[[(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H27FN2O3S/c1-27-21-12-18(9-10-20(21)22)14-24-11-5-8-19(15-24)13-23-28(25,26)16-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,23H,5,8,11,13-16H2,1H3/p+1/t19-/m1/s1