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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

InChI

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