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

Systemtic Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O5+ MolecularWeight: 377.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5/c1-4-26-18(23)22-9-7-21(8-10-22)12-16-19-17(20-27-16)13-5-6-14(24-2)15(11-13)25-3/h5-6,11H,4,7-10,12H2,1-3H3/p+1