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

Systemtic Name: ethyl 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)COC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O4/c1-2-23-17(22)21-10-8-20(9-11-21)12-16-18-15(19-25-16)13-24-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1