2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-2-(4-oxidanylidene-1H-quinazolin-2-yl)pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-2-(4-oxidanylidene-1H-quinazolin-2-yl)pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-2-(4-oxo-1H-quinazolin-2-yl)pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-2-(4-oxo-1H-quinazolin-2-yl)-1-pyrrolyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(5-fluoro-2-hydroxybenzoyl)-2-(4-oxo-1H-quinazolin-2-yl)pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-2-(4-keto-1H-quinazolin-2-yl)pyrrol-1-yl]ethyl-dimethyl-ammonium Formula: C23H22FN4O3+ MolecularWeight: 421.444183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

C[NH+](C)CCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C23H21FN4O3/c1-27(2)9-10-28-13-14(21(30)17-12-15(24)7-8-20(17)29)11-19(28)22-25-18-6-4-3-5-16(18)23(31)26-22/h3-8,11-13,29H,9-10H2,1-2H3,(H,25,26,31)/p+1