3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(isopropylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(isopropylamino)-1,3,4-thiadiazole-2-thione Formula: C11H21N4OS2+ MolecularWeight: 289.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCCC(C2)O

Isomeric SMILES

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCC[C@H](C2)O

InChI

InChI=1S/C11H20N4OS2/c1-8(2)12-10-13-15(11(17)18-10)7-14-5-3-4-9(16)6-14/h8-9,16H,3-7H2,1-2H3,(H,12,13)/p+1/t9-/m1/s1