5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C24H36N4OS/c1-24(2,3)19-11-9-18(10-12-19)22-25-27(17-26-15-13-21(29)14-16-26)23(30)28(22)20-7-5-4-6-8-20/h9-12,20-21,29H,4-8,13-17H2,1-3H3/p+1