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

Systemtic Name: 2-(4-fluoranyl-3-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-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazole CAS Name: 2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-fluoro-3-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-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazole Formula: C24H28FN2O3+ MolecularWeight: 411.489123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O3/c1-17-22(26-24(30-17)19-10-11-21(25)23(13-19)28-2)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