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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCC2)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCC2)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H32N4OS/c1-24-21(23-26(22(24)28)17-25-14-6-3-7-15-25)16-27-20-12-10-19(11-13-20)18-8-4-2-5-9-18/h10-13,18H,2-9,14-17H2,1H3/p+1