N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN2O4S/c21-16-5-3-15(4-6-16)18(23-9-1-2-10-23)14-22-28(24,25)17-7-8-19-20(13-17)27-12-11-26-19/h3-8,13,18,22H,1-2,9-12,14H2/p+1/t18-/m0/s1