butyl-[(1R)-1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium

Systemtic Name: butyl-[(1R)-1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium Openeye Name: butyl-[(1R)-1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: butyl-[(1R)-1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: butyl-[(1R)-1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: butyl-[(1R)-1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]ethyl]ammonium Formula: C20H22ClFN3O+ MolecularWeight: 374.859583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCC[NH2+][C@H](C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H21ClFN3O/c1-3-4-11-23-13(2)19-24-18-8-6-5-7-15(18)20(26)25(19)14-9-10-17(22)16(21)12-14/h5-10,12-13,23H,3-4,11H2,1-2H3/p+1/t13-/m1/s1