6-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]sesamol Formula: C16H18NO3S+ MolecularWeight: 304.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=C(C=C2O)OCO3)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC3=C(C=C2O)OCO3)C4=CC=CS4

InChI

InChI=1S/C16H17NO3S/c18-13-8-15-14(19-10-20-15)7-11(13)9-17-5-1-3-12(17)16-4-2-6-21-16/h2,4,6-8,12,18H,1,3,5,9-10H2/p+1/t12-/m1/s1