6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1,3-benzodioxol-5-ol

Systemtic Name: 6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1,3-benzodioxol-5-ol Openeye Name: 6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1,3-benzodioxol-5-ol CAS Name: 6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1,3-benzodioxol-5-ol IUPAC Name: 6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1,3-benzodioxol-5-ol Traditional Name: 6-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)sesamol Formula: C15H16NO3S+ MolecularWeight: 290.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1SC=C2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1C[NH+](CC2=C1SC=C2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C15H15NO3S/c17-12-6-14-13(18-9-19-14)5-11(12)8-16-3-1-15-10(7-16)2-4-20-15/h2,4-6,17H,1,3,7-9H2/p+1