4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one Traditional Name: 4-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]carbostyril Formula: C21H20ClFN3O2+ MolecularWeight: 400.853803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H19ClFN3O2/c22-17-5-3-6-18(23)16(17)13-25-8-10-26(11-9-25)21(28)15-12-20(27)24-19-7-2-1-4-14(15)19/h1-7,12H,8-11,13H2,(H,24,27)/p+1