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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCCC3C(=O)OC)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCC[C@H]3C(=O)OC)C)OC

InChI

InChI=1S/C20H26N2O4/c1-12-10-18(24-4)13(2)9-15(12)19-21-16(14(3)26-19)11-22-8-6-7-17(22)20(23)25-5/h9-10,17H,6-8,11H2,1-5H3/p+1/t17-/m0/s1