1-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]-3-fluoro-phenyl]ethanone Formula: C21H20ClFN3O+ MolecularWeight: 384.854403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)F

InChI

InChI=1S/C21H19ClFN3O/c1-14(27)15-2-5-21(18(23)12-15)26-10-8-25(9-11-26)20-6-7-24-19-13-16(22)3-4-17(19)20/h2-7,12-13H,8-11H2,1H3/p+1