3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Formula: C15H23NO5S MolecularWeight: 329.41182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CCCS(=O)(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CCCS(=O)(=O)[O-])OC

InChI

InChI=1S/C15H23NO5S/c1-20-12-6-7-13(15(11-12)21-2)14-5-3-8-16(14)9-4-10-22(17,18)19/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,17,18,19)/t14-/m1/s1