[4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanidyl-6-phenylmethoxy-5,6-dihydro-1,2-oxazin-2-ium-5-yl] ethanoate

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanidyl-6-phenylmethoxy-5,6-dihydro-1,2-oxazin-2-ium-5-yl] ethanoate Openeye Name: [6-benzyloxy-4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxido-5,6-dihydrooxazin-2-ium-5-yl] acetate CAS Name: acetic acid [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxido-6-phenylmethoxy-5,6-dihydrooxazin-2-ium-5-yl] ester IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxido-6-phenylmethoxy-5,6-dihydrooxazin-2-ium-5-yl] acetate Traditional Name: acetic acid (6-benzoxy-4-ethyl-2-oxido-4-veratryl-5,6-dihydrooxazin-2-ium-5-yl) ester Formula: C24H29NO7 MolecularWeight: 443.48956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO7/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/h6-13,16,22-23H,5,14-15H2,1-4H3