6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]sesamol Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4O)OCO5

InChI

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