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

Systemtic Name: methyl (2S)-1-[[2-(2-fluoranyl-5-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(2-fluoro-5-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(2-fluoro-5-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H22FN2O4+ MolecularWeight: 349.376683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)F)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O4/c1-11-15(10-21-8-4-5-16(21)18(22)24-3)20-17(25-11)13-9-12(23-2)6-7-14(13)19/h6-7,9,16H,4-5,8,10H2,1-3H3/p+1/t16-/m0/s1