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

Systemtic Name: methyl 1-[[5-[(2-methoxyphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(2-methoxyanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(o-anisidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O3S2/c1-23-14-6-4-3-5-13(14)18-16-19-21(17(25)26-16)11-20-9-7-12(8-10-20)15(22)24-2/h3-6,12H,7-11H2,1-2H3,(H,18,19)/p+1