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

Systemtic Name: 4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4S/c1-17-12-14-23(15-13-17)16-24-21(26)25(19-10-6-3-7-11-19)20(22-24)18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3/p+1