N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C19H22FN2O4S+ MolecularWeight: 393.452383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN2O4S/c20-15-5-3-14(4-6-15)17(22-9-1-2-10-22)12-21-27(23,24)16-7-8-18-19(11-16)26-13-25-18/h3-8,11,17,21H,1-2,9-10,12-13H2/p+1/t17-/m0/s1