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

Systemtic Name: 5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H34ClN4OS+ MolecularWeight: 450.06026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=C(C=C(C=C3)Cl)C)C4CCCCC4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=C(C=C(C=C3)Cl)C)C4CCCCC4

InChI

InChI=1S/C23H33ClN4OS/c1-17-10-12-26(13-11-17)16-27-23(30)28(20-6-4-3-5-7-20)22(25-27)15-29-21-9-8-19(24)14-18(21)2/h8-9,14,17,20H,3-7,10-13,15-16H2,1-2H3/p+1