5-(3-methoxyphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-methoxyphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-18-15(13-7-6-8-14(11-13)21-2)17-20(16(18)22)12-19-9-4-3-5-10-19/h6-8,11H,3-5,9-10,12H2,1-2H3/p+1