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

Systemtic Name: ethyl 1-[(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(4-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-2-22-15(21)13-5-9-19(10-6-13)11-20-16(24)23-14(18-20)12-3-7-17-8-4-12/h3-4,7-8,13H,2,5-6,9-11H2,1H3/p+1