[(4S,5R,6S)-3-methyl-2-oxidanidyl-4-phenyl-6-phenylmethoxy-5,6-dihydro-4H-1,2-oxazin-2-ium-5-yl] ethanoate

Systemtic Name: [(4S,5R,6S)-3-methyl-2-oxidanidyl-4-phenyl-6-phenylmethoxy-5,6-dihydro-4H-1,2-oxazin-2-ium-5-yl] ethanoate Openeye Name: [(4S,5R,6S)-6-benzyloxy-3-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-5-yl] acetate CAS Name: acetic acid [(4S,5R,6S)-3-methyl-2-oxido-4-phenyl-6-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] ester IUPAC Name: [(4S,5R,6S)-3-methyl-2-oxido-4-phenyl-6-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] acetate Traditional Name: acetic acid [(4S,5R,6S)-6-benzoxy-3-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-5-yl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](OC(C(C1C2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+](O[C@@H]([C@@H]([C@H]1C2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21NO5/c1-14-18(17-11-7-4-8-12-17)19(25-15(2)22)20(26-21(14)23)24-13-16-9-5-3-6-10-16/h3-12,18-20H,13H2,1-2H3/t18-,19-,20+/m1/s1