5-[(2,6-dimethylphenoxy)methyl]-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2,6-dimethylphenoxy)methyl]-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(2,6-dimethylphenoxy)methyl]-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(2,6-dimethylphenoxy)methyl]-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(2,6-dimethylphenoxy)methyl]-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H28N4O2S/c1-17-7-6-8-18(2)22(17)29-15-21-24-26(16-25-13-11-20(28)12-14-25)23(30)27(21)19-9-4-3-5-10-19/h3-10,20,28H,11-16H2,1-2H3/p+1