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

Systemtic Name: 2-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-5-methyl-oxazole CAS Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-5-methyl-oxazole Formula: C25H31N2O4+ MolecularWeight: 423.52464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-18-22(26-25(31-18)21-12-7-13-23(28-2)24(21)29-3)16-27-14-8-11-20(15-27)30-17-19-9-5-4-6-10-19/h4-7,9-10,12-13,20H,8,11,14-17H2,1-3H3/p+1/t20-/m0/s1