3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinolin-2-one Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]carbostyril Formula: C27H24F2N3O2+ MolecularWeight: 460.495166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H23F2N3O2/c28-21-9-5-18(6-10-21)25(19-7-11-22(29)12-8-19)31-13-15-32(16-14-31)27(34)23-17-20-3-1-2-4-24(20)30-26(23)33/h1-12,17,25H,13-16H2,(H,30,33)/p+1