methyl 1-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4O3S/c1-4-22-17(14-5-7-16(25-2)8-6-14)20-23(19(22)27)13-21-11-9-15(10-12-21)18(24)26-3/h5-8,15H,4,9-13H2,1-3H3/p+1