methyl (2S)-1-[[2-(2,4-dimethoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[2-(2,4-dimethoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(2,4-dimethoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(2,4-dimethoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C2=NC(=C(O2)C)C[NH+]3CCCC3C(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C2=NC(=C(O2)C)C[NH+]3CCC[C@H]3C(=O)OC)OC

InChI

InChI=1S/C20H26N2O5/c1-12-17(24-3)9-8-14(18(12)25-4)19-21-15(13(2)27-19)11-22-10-6-7-16(22)20(23)26-5/h8-9,16H,6-7,10-11H2,1-5H3/p+1/t16-/m0/s1