6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]sesamol Formula: C20H21N2O3S+ MolecularWeight: 369.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H20N2O3S/c23-16-9-18-17(24-12-25-18)8-14(16)11-22-7-3-4-13(10-22)20-21-15-5-1-2-6-19(15)26-20/h1-2,5-6,8-9,13,23H,3-4,7,10-12H2/p+1/t13-/m0/s1