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

Systemtic Name: 2-(furan-3-yl)-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-(3-furyl)-5-methyl-oxazole CAS Name: 2-(3-furanyl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(furan-3-yl)-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-(3-furyl)-5-methyl-oxazole Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-16-20(22-21(26-16)18-9-11-24-15-18)13-23-10-5-8-19(12-23)25-14-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,19H,5,8,10,12-14H2,1H3/p+1/t19-/m0/s1