2-methyl-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 2-methyl-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-2-methyl-N-phenyl-benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-2-methyl-N-phenylbenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-2-methyl-N-phenylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-2-methyl-N-phenyl-benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(C[C@H](C[NH+]2CCCCC2)O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S/c1-18-10-6-7-13-21(18)27(25,26)23(19-11-4-2-5-12-19)17-20(24)16-22-14-8-3-9-15-22/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/p+1/t20-/m0/s1