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

Systemtic Name: 5-[(2-ethylphenyl)amino]-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-ethylanilino)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-ethylanilino)-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-ethylanilino)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2-ethylanilino)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C16H23N4OS2+ MolecularWeight: 351.51002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C16H22N4OS2/c1-2-12-6-3-4-8-14(12)17-15-18-20(16(22)23-15)11-19-9-5-7-13(21)10-19/h3-4,6,8,13,21H,2,5,7,9-11H2,1H3,(H,17,18)/p+1/t13-/m1/s1