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

Systemtic Name: ethyl (3S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[3-(4-carbomethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O5/c1-3-26-19(24)15-5-4-10-22(11-15)12-16-20-17(21-27-16)13-6-8-14(9-7-13)18(23)25-2/h6-9,15H,3-5,10-12H2,1-2H3/p+1/t15-/m0/s1