(2-chloranyl-6-fluoranyl-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H22ClFN3O3+ MolecularWeight: 406.858383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC=C1Cl)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CC1=C(C=CC=C1Cl)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C20H21ClFN3O3/c1-4-25(10-13-14(21)6-5-7-15(13)22)11-19-23-16-9-18(28-3)17(27-2)8-12(16)20(26)24-19/h5-9H,4,10-11H2,1-3H3,(H,23,24,26)/p+1