[4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanylidene-6-phenylmethoxy-1,2-oxazinan-2-ium-5-yl] ethanoate

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanylidene-6-phenylmethoxy-1,2-oxazinan-2-ium-5-yl] ethanoate Openeye Name: [6-benzyloxy-4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-oxazinan-2-ium-5-yl] acetate CAS Name: acetic acid [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-6-phenylmethoxy-5-oxazinan-2-iumyl] ester IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-6-phenylmethoxyoxazinan-2-ium-5-yl] acetate Traditional Name: acetic acid (6-benzoxy-4-ethyl-2-keto-4-veratryl-oxazinan-2-ium-5-yl) ester Formula: C24H30NO7+ MolecularWeight: 444.4975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+](=O)OC(C1OC(=O)C)OCC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1(C[N+](=O)OC(C1OC(=O)C)OCC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H30NO7/c1-5-24(14-19-11-12-20(28-3)21(13-19)29-4)16-25(27)32-23(22(24)31-17(2)26)30-15-18-9-7-6-8-10-18/h6-13,22-23H,5,14-16H2,1-4H3/q+1