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

Systemtic Name: 2-(2-fluoranyl-4-methoxy-phenyl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]-2-(2-fluoro-4-methoxy-phenyl)-5-methyl-oxazole CAS Name: 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]-2-(2-fluoro-4-methoxy-phenyl)-5-methyl-oxazole Formula: C24H28FN2O3+ MolecularWeight: 411.489123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)F)C[NH+]3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)F)C[NH+]3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27FN2O3/c1-17-23(26-24(30-17)21-11-10-19(28-2)13-22(21)25)15-27-12-6-9-20(14-27)29-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3/p+1/t20-/m0/s1