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

Systemtic Name: 4-cyclohexyl-5-(2,4-dichlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-(2,4-dichlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-(2,4-dichlorophenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-(2,4-dichlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-(2,4-dichlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H29Cl2N4S+ MolecularWeight: 440.45276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4CCCCC4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4CCCCC4

InChI

InChI=1S/C21H28Cl2N4S/c1-15-9-11-25(12-10-15)14-26-21(28)27(17-5-3-2-4-6-17)20(24-26)18-8-7-16(22)13-19(18)23/h7-8,13,15,17H,2-6,9-12,14H2,1H3/p+1