2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-27-16-9-10-20(28-2)18(13-16)19-8-5-11-23(19)14-21(24)22-15-6-4-7-17(12-15)29(3,25)26/h4,6-7,9-10,12-13,19H,5,8,11,14H2,1-3H3,(H,22,24)/p+1/t19-/m1/s1