2-[(1-oxidanyl-3-oxidanylidene-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ethanoate bromide

Systemtic Name: 2-[(1-oxidanyl-3-oxidanylidene-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ethanoate bromide Openeye Name: 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl acetate bromide CAS Name: acetic acid 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ester bromide IUPAC Name: 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl acetate bromide Traditional Name: acetic acid 2-[(1-hydroxy-3-keto-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ester bromide Formula: C18H19BrN2O5 MolecularWeight: 423.25786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CC(=O)OCCOC[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C18H18N2O5.BrH/c1-13(21)25-10-9-24-12-20-8-7-16-15(11-20)17(22)19-18(16,23)14-5-3-2-4-6-14;/h2-8,11,23H,9-10,12H2,1H3;1H