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

Systemtic Name: methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C19H24N2O4/c1-4-24-17-10-6-5-8-14(17)18-20-15(13(2)25-18)12-21-11-7-9-16(21)19(22)23-3/h5-6,8,10,16H,4,7,9,11-12H2,1-3H3/p+1/t16-/m0/s1