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

Systemtic Name: 4-(3-methylphenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(m-tolyl)-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-(m-tolyl)-5-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-16-7-5-10-18(13-16)25-20(17-8-3-2-4-9-17)22-24(21(25)27)15-23-12-6-11-19(26)14-23/h2-5,7-10,13,19,26H,6,11-12,14-15H2,1H3/p+1/t19-/m1/s1