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

Systemtic Name: methyl 1-[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(2-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-o-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-3-24-15-7-5-4-6-14(15)16-19-21(18(26)25-16)12-20-10-8-13(9-11-20)17(22)23-2/h4-7,13H,3,8-12H2,1-2H3/p+1