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

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-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-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN(C2=S)C[NH+]3CCCC(C3)O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN(C2=S)C[NH+]3CCC[C@@H](C3)O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O2S2/c1-14-7-8-17(26-2)16(11-14)24-19(18-6-4-10-28-18)21-23(20(24)27)13-22-9-3-5-15(25)12-22/h4,6-8,10-11,15,25H,3,5,9,12-13H2,1-2H3/p+1/t15-/m0/s1