2-(2-fluoranyl-5-methoxy-phenyl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2-fluoranyl-5-methoxy-phenyl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2-fluoro-5-methoxy-phenyl)-5-methyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2-fluoro-5-methoxy-phenyl)-5-methyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C22H25FN3O2+ MolecularWeight: 382.451203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)F)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)F)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)18-12-17(27-2)8-9-19(18)23)14-26-11-4-3-7-21(26)16-6-5-10-24-13-16/h5-6,8-10,12-13,21H,3-4,7,11,14H2,1-2H3/p+1/t21-/m0/s1