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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C28H37N4OS+ MolecularWeight: 477.68458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C28H36N4OS/c1-30-27(20-33-26-14-12-24(13-15-26)22-8-4-2-5-9-22)29-32(28(30)34)21-31-18-16-25(17-19-31)23-10-6-3-7-11-23/h3,6-7,10-15,22,25H,2,4-5,8-9,16-21H2,1H3/p+1