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

Systemtic Name: methyl 1-[[4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24FN4O2S+ MolecularWeight: 391.482863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C19H23FN4O2S/c1-26-18(25)13-8-10-22(11-9-13)12-23-19(27)24(14-6-7-14)17(21-23)15-4-2-3-5-16(15)20/h2-5,13-14H,6-12H2,1H3/p+1