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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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