[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H17BrFN4O2+ MolecularWeight: 420.255583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN4O2/c1-24(10-17(25)22-15-7-6-11(19)8-13(15)20)9-16-21-14-5-3-2-4-12(14)18(26)23-16/h2-8H,9-10H2,1H3,(H,22,25)(H,21,23,26)/p+1