4-ethyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C14H21N4OS2+ MolecularWeight: 325.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=CS3

InChI

InChI=1S/C14H20N4OS2/c1-2-17-13(12-6-4-8-21-12)15-18(14(17)20)10-16-7-3-5-11(19)9-16/h4,6,8,11,19H,2-3,5,7,9-10H2,1H3/p+1/t11-/m1/s1