5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C15H17N3O4S/c19-11-2-1-5-17(7-11)8-18-15(23)22-14(16-18)10-3-4-12-13(6-10)21-9-20-12/h3-4,6,11,19H,1-2,5,7-9H2/p+1/t11-/m1/s1