methyl 1-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(2-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H18BrN3O3S/c1-22-15(21)11-6-8-19(9-7-11)10-20-16(24)23-14(18-20)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3/p+1