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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4OS/c1-18-12-14-26(15-13-18)17-27-23(29)25(2)22(24-27)16-28-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,18-19H,3-7,12-17H2,1-2H3/p+1