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

Systemtic Name: 4-ethyl-2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-2-19-15(13-7-4-3-5-8-13)17-20(16(19)22)12-18-10-6-9-14(21)11-18/h3-5,7-8,14,21H,2,6,9-12H2,1H3/p+1/t14-/m0/s1