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

Systemtic Name: (2S)-1-[[2-(2-fluoranyl-5-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[2-(2-fluoro-5-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[2-(2-fluoro-5-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O3/c1-10-14(9-21-7-3-4-15(21)16(19)22)20-17(24-10)12-8-11(23-2)5-6-13(12)18/h5-6,8,15H,3-4,7,9H2,1-2H3,(H2,19,22)/p+1/t15-/m0/s1