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

Systemtic Name: 5-(4-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H22N4S/c1-12-3-5-14(6-4-12)15-17-16(21)20(18-15)11-19-9-7-13(2)8-10-19/h3-6,13H,7-11H2,1-2H3,(H,17,18,21)/p+1