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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCCCC3)C

InChI

InChI=1S/C18H26N4OS/c1-14-7-8-16(11-15(14)2)23-12-17-19-22(18(24)20(17)3)13-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12-13H2,1-3H3/p+1