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

Systemtic Name: 4-methyl-5-(phenoxymethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(phenoxymethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenoxymethyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(phenoxymethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(phenoxymethyl)-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)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C16H22N4OS/c1-18-15(12-21-14-8-4-2-5-9-14)17-20(16(18)22)13-19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-13H2,1H3/p+1