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

Systemtic Name: 4-(2-methoxyphenyl)-2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC(C3)O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC[C@@H](C3)O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O2S2/c1-25-16-8-3-2-7-15(16)23-18(17-9-5-11-27-17)20-22(19(23)26)13-21-10-4-6-14(24)12-21/h2-3,5,7-9,11,14,24H,4,6,10,12-13H2,1H3/p+1/t14-/m0/s1