[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-(3-chloro-4-fluoro-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-(3-chloro-4-fluoroanilino)-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-(3-chloro-4-fluoroanilino)quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-(3-chloro-4-fluoro-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C17H17ClFN4+ MolecularWeight: 331.795083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN4/c1-23(2)10-16-21-15-6-4-3-5-12(15)17(22-16)20-11-7-8-14(19)13(18)9-11/h3-9H,10H2,1-2H3,(H,20,21,22)/p+1