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

Systemtic Name: [1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxidanylidene-pyrrolidin-1-ium-1-yl] methanesulfonate Openeye Name: [1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxo-pyrrolidin-1-ium-1-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxo-1-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-2-oxopyrrolidin-1-ium-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[4-(1,3-benzodioxol-5-yloxy)benzyl]-2-keto-pyrrolidin-1-ium-1-yl] ester Formula: C19H20NO7S+ MolecularWeight: 406.4296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)O[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20NO7S/c1-28(22,23)27-20(10-2-3-19(20)21)12-14-4-6-15(7-5-14)26-16-8-9-17-18(11-16)25-13-24-17/h4-9,11H,2-3,10,12-13H2,1H3/q+1