[(2R,3R,4S)-2,3,4-triacetyloxy-4-[(3R,3aR)-5,6-dimethyl-1-oxidanidyl-3,3a,4,7-tetrahydro-2,1-benzoxazol-1-ium-3-yl]butyl] ethanoate

Systemtic Name: [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(3R,3aR)-5,6-dimethyl-1-oxidanidyl-3,3a,4,7-tetrahydro-2,1-benzoxazol-1-ium-3-yl]butyl] ethanoate Openeye Name: [(2R,3R,4S)-2,3,4-triacetoxy-4-[(3R,3aR)-5,6-dimethyl-1-oxido-3,3a,4,7-tetrahydro-2,1-benzoxazol-1-ium-3-yl]butyl] acetate CAS Name: acetic acid [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(3R,3aR)-5,6-dimethyl-1-oxido-3,3a,4,7-tetrahydro-2,1-benzoxazol-1-ium-3-yl]butyl] ester IUPAC Name: [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(3R,3aR)-5,6-dimethyl-1-oxido-3,3a,4,7-tetrahydro-2,1-benzoxazol-1-ium-3-yl]butyl] acetate Traditional Name: acetic acid [(2R,3R,4S)-2,3,4-triacetoxy-4-[(3R,3aR)-5,6-dimethyl-1-oxido-3,3a,4,7-tetrahydroanthranil-1-ium-3-yl]butyl] ester Formula: C21H29NO10 MolecularWeight: 455.45566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2=[N+](OC(C2C1)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[O-])C

Isomeric SMILES

CC1=C(CC2=[N+](O[C@H]([C@@H]2C1)[C@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[O-])C

InChI

InChI=1S/C21H29NO10/c1-10-7-16-17(8-11(10)2)22(27)32-19(16)21(31-15(6)26)20(30-14(5)25)18(29-13(4)24)9-28-12(3)23/h16,18-21H,7-9H2,1-6H3/t16-,18-,19-,20-,21-/m1/s1