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

Systemtic Name: ethyl 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H25N3O5/c1-4-26-19(23)13-7-9-22(10-8-13)12-17-20-18(21-27-17)14-5-6-15(24-2)16(11-14)25-3/h5-6,11,13H,4,7-10,12H2,1-3H3/p+1