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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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