2-[1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxidanylidene-pyrrolidin-1-ium-1-yl]ethanethioic S-acid

Systemtic Name: 2-[1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxidanylidene-pyrrolidin-1-ium-1-yl]ethanethioic S-acid Openeye Name: 2-[1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxo-pyrrolidin-1-ium-1-yl]ethanethioic S-acid CAS Name: 2-[1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxo-1-pyrrolidin-1-iumyl]ethanethioic S-acid IUPAC Name: 2-[1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxopyrrolidin-1-ium-1-yl]ethanethioic S-acid Traditional Name: 2-[1-[4-(1,3-benzodioxol-5-yloxy)benzyl]-2-keto-pyrrolidin-1-ium-1-yl]thioacetic acid Formula: C20H20NO5S+ MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)CC(=O)S

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)CC(=O)S

InChI

InChI=1S/C20H19NO5S/c22-19-2-1-9-21(19,12-20(23)27)11-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)25-13-24-17/h3-8,10H,1-2,9,11-13H2/p+1