[6-fluoranyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [6-fluoranyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone Openeye Name: [6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-phenyl-methanone CAS Name: [6-fluoro-4-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumyl]-phenylmethanone IUPAC Name: [6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-phenylmethanone Traditional Name: [6-fluoro-4-(4-phenylpiperazino)quinolin-1-ium-3-yl]-phenyl-methanone Formula: C26H23FN3O+ MolecularWeight: 412.478723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C4C=C(C=CC4=[NH+]C=C3C(=O)C5=CC=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C4C=C(C=CC4=[NH+]C=C3C(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C26H22FN3O/c27-20-11-12-24-22(17-20)25(23(18-28-24)26(31)19-7-3-1-4-8-19)30-15-13-29(14-16-30)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2/p+1