[(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl benzenesulfonate

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl benzenesulfonate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-3-pyrrolidinyl]methyl ester IUPAC Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1C2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CC[C@H]([C@@H]1C2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23NO4S/c1-20-13-12-16(19(20)15-8-10-17(23-2)11-9-15)14-24-25(21,22)18-6-4-3-5-7-18/h3-11,16,19H,12-14H2,1-2H3/t16-,19-/m0/s1