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

Systemtic Name: ethyl 4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H20ClN4O3+ MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H19ClN4O3/c1-2-23-16(22)21-8-6-20(7-9-21)11-14-18-15(19-24-14)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9,11H2,1H3/p+1