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

Systemtic Name: N-(2-methoxyphenyl)-4-methyl-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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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=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+]2CCCCC2)O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N2O4S/c1-18-10-12-20(13-11-18)29(26,27)24(21-8-4-5-9-22(21)28-2)17-19(25)16-23-14-6-3-7-15-23/h4-5,8-13,19,25H,3,6-7,14-17H2,1-2H3/p+1/t19-/m0/s1