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

Systemtic Name: ethyl 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-2-23-17(22)13-7-9-21(10-8-13)11-15-19-16(20-24-15)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3/p+1