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

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-23-17(22)21-10-8-20(9-11-21)12-15-18-16(19-24-15)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3/p+1