1-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-methyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-methyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N)COC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O2S/c1-20-15(11-24-14-5-3-2-4-6-14)19-22(17(20)25)12-21-9-7-13(8-10-21)16(18)23/h2-6,13H,7-12H2,1H3,(H2,18,23)/p+1