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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (2-bromo-4-fluoro-phenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (2-bromo-4-fluorophenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (2-bromo-4-fluorophenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (2-bromo-4-fluoro-benzyl)-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C18H18BrFN3O+ MolecularWeight: 391.257423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)F)Br)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)F)Br)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H17BrFN3O/c1-2-23(10-12-7-8-13(20)9-15(12)19)11-17-21-16-6-4-3-5-14(16)18(24)22-17/h3-9H,2,10-11H2,1H3,(H,21,22,24)/p+1