(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(4-oxidanylidenecinnolin-1-yl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(4-oxidanylidenecinnolin-1-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[(4-oxocinnolin-1-yl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(4-oxo-1-cinnolinyl)methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(4-oxocinnolin-1-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(4-ketocinnolin-1-yl)methyl]-methyl-ammonium Formula: C17H16ClFN3O+ MolecularWeight: 332.779843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C17H15ClFN3O/c1-21(10-13-14(18)6-4-7-15(13)19)11-22-16-8-3-2-5-12(16)17(23)9-20-22/h2-9H,10-11H2,1H3/p+1