4-(2,3-dimethylphenyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,3-dimethylphenyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2,3-dimethylphenyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,3-dimethylphenyl)-5-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,3-dimethylphenyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2,3-dimethylphenyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C17H24N4S/c1-13-8-7-9-16(14(13)2)21-15(3)18-20(17(21)22)12-19-10-5-4-6-11-19/h7-9H,4-6,10-12H2,1-3H3/p+1