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

Systemtic Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C20H27N3O5/c1-5-27-20(24)23-10-8-22(9-11-23)13-16-14(2)28-19(21-16)15-6-7-17(25-3)18(12-15)26-4/h6-7,12H,5,8-11,13H2,1-4H3/p+1