[1-[(2-chlorophenyl)methyl]-7-fluoranyl-2-oxidanylidene-quinolin-3-yl]methyl-(2-imidazol-1-ylethyl)azanium

Systemtic Name: [1-[(2-chlorophenyl)methyl]-7-fluoranyl-2-oxidanylidene-quinolin-3-yl]methyl-(2-imidazol-1-ylethyl)azanium Openeye Name: [1-[(2-chlorophenyl)methyl]-7-fluoro-2-oxo-3-quinolyl]methyl-(2-imidazol-1-ylethyl)ammonium CAS Name: [1-[(2-chlorophenyl)methyl]-7-fluoro-2-oxo-3-quinolinyl]methyl-[2-(1-imidazolyl)ethyl]ammonium IUPAC Name: [1-[(2-chlorophenyl)methyl]-7-fluoro-2-oxoquinolin-3-yl]methyl-(2-imidazol-1-ylethyl)azanium Traditional Name: [1-(2-chlorobenzyl)-7-fluoro-2-keto-3-quinolyl]methyl-(2-imidazol-1-ylethyl)ammonium Formula: C22H21ClFN4O+ MolecularWeight: 411.879743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=CC(=C3)F)C=C(C2=O)C[NH2+]CCN4C=CN=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC(=C3)F)C=C(C2=O)C[NH2+]CCN4C=CN=C4)Cl

InChI

InChI=1S/C22H20ClFN4O/c23-20-4-2-1-3-17(20)14-28-21-12-19(24)6-5-16(21)11-18(22(28)29)13-25-7-9-27-10-8-26-15-27/h1-6,8,10-12,15,25H,7,9,13-14H2/p+1