methyl (2R)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCCCC3C(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCCC[C@@H]3C(=O)OC)OC

InChI

InChI=1S/C20H26N2O4/c1-13-11-15(8-9-18(13)24-3)19-21-16(14(2)26-19)12-22-10-6-5-7-17(22)20(23)25-4/h8-9,11,17H,5-7,10,12H2,1-4H3/p+1/t17-/m1/s1