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

Systemtic Name: N-[[(3S)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(3-chloro-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(3-chloro-4-hydroxy-benzyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=C(C=C2)O)Cl)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=C(C=C2)O)Cl)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O3S/c21-19-11-17(8-9-20(19)24)13-23-10-4-7-18(14-23)12-22-27(25,26)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,18,22,24H,4,7,10,12-15H2/p+1/t18-/m1/s1