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

Systemtic Name: ethyl 1-[[5-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-[(4-methoxyphenyl)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-p-anisyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O4S/c1-3-25-18(23)15-8-10-21(11-9-15)13-22-19(27)26-17(20-22)12-14-4-6-16(24-2)7-5-14/h4-7,15H,3,8-13H2,1-2H3/p+1