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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C22H26N4OS/c1-18-10-6-7-13-20(18)27-16-21-23-25(17-24-14-8-3-9-15-24)22(28)26(21)19-11-4-2-5-12-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3/p+1