2-[(5R)-4-[(5-bromanyl-2-oxidanyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5R)-4-[(5-bromanyl-2-oxidanyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5R)-4-[(5-bromo-2-hydroxy-phenyl)-hydroxy-methylene]-2,3-dioxo-5-(3-pyridyl)pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5R)-4-[(5-bromo-2-hydroxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-pyridinyl)-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5R)-4-[(5-bromo-2-hydroxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-4-[(5-bromo-2-hydroxy-phenyl)-hydroxy-methylene]-2,3-diketo-5-(3-pyridyl)pyrrolidino]ethyl-dimethyl-ammonium Formula: C20H21BrN3O4+ MolecularWeight: 447.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C2=C(C=CC(=C2)Br)O)O)C(=O)C1=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C2=C(C=CC(=C2)Br)O)O)C(=O)C1=O)C3=CN=CC=C3

InChI

InChI=1S/C20H20BrN3O4/c1-23(2)8-9-24-17(12-4-3-7-22-11-12)16(19(27)20(24)28)18(26)14-10-13(21)5-6-15(14)25/h3-7,10-11,17,25-26H,8-9H2,1-2H3/p+1/t17-/m1/s1