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

Systemtic Name: methyl (2R)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[2-(4-carbomethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C20H25N2O5+ MolecularWeight: 373.4229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCC[C@@H]3C(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-13-16(12-22-11-5-4-6-17(22)20(24)26-3)21-18(27-13)14-7-9-15(10-8-14)19(23)25-2/h7-10,17H,4-6,11-12H2,1-3H3/p+1/t17-/m1/s1