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

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(2-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

InChI

InChI=1S/C17H24N4S/c1-13-8-10-19(11-9-13)12-20-17(22)21(15(3)18-20)16-7-5-4-6-14(16)2/h4-7,13H,8-12H2,1-3H3/p+1