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

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c23-27(24,17-8-9-19-20(14-17)26-13-12-25-19)21-15-18(22-10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-9,14,18,21H,4-5,10-13,15H2/p+1/t18-/m0/s1