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

Systemtic Name: methyl 1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H19N4O5S+ MolecularWeight: 379.41086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-24-15(21)11-5-7-18(8-6-11)10-19-16(26)25-14(17-19)12-3-2-4-13(9-12)20(22)23/h2-4,9,11H,5-8,10H2,1H3/p+1