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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C18H18ClFN3O+ MolecularWeight: 346.806423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H17ClFN3O/c1-11(23(2)10-13-14(19)7-5-8-15(13)20)17-21-16-9-4-3-6-12(16)18(24)22-17/h3-9,11H,10H2,1-2H3,(H,21,22,24)/p+1/t11-/m1/s1