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

Systemtic Name: ethyl 4-[[2-(2-fluoranyl-4-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-(2-fluoro-4-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-(2-fluoro-4-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25FN3O4+ MolecularWeight: 378.417903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O4/c1-4-26-19(24)23-9-7-22(8-10-23)12-17-13(2)27-18(21-17)15-6-5-14(25-3)11-16(15)20/h5-6,11H,4,7-10,12H2,1-3H3/p+1