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

Systemtic Name: ethyl 1-[(5-cyclopropyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-cyclopropyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-cyclopropyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-cyclopropyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-cyclopropyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3CC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3CC3

InChI

InChI=1S/C14H21N3O3S/c1-2-19-13(18)11-5-7-16(8-6-11)9-17-14(21)20-12(15-17)10-3-4-10/h10-11H,2-9H2,1H3/p+1