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

Systemtic Name: 3-[(5R)-4-[(5-bromanyl-2-oxidanyl-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-pyridin-3-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5R)-4-[(5-bromo-2-hydroxy-phenyl)-hydroxy-methylene]-2,3-dioxo-5-(3-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5R)-4-[(5-bromo-2-hydroxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-pyridinyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[(5R)-4-[(5-bromo-2-hydroxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-[(5-bromo-2-hydroxy-phenyl)-hydroxy-methylene]-2,3-diketo-5-(3-pyridyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C21H23BrN3O4+ MolecularWeight: 461.32902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C2=C(C=CC(=C2)Br)O)O)C(=O)C1=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C2=C(C=CC(=C2)Br)O)O)C(=O)C1=O)C3=CN=CC=C3

InChI

InChI=1S/C21H22BrN3O4/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17(20(28)21(25)29)19(27)15-11-14(22)6-7-16(15)26/h3,5-8,11-12,18,26-27H,4,9-10H2,1-2H3/p+1/t18-/m1/s1