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

Systemtic Name: methyl 1-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(3-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3-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=C3)Br

Isomeric SMILES

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

InChI

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