2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(6-fluoro-8-quinolinyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C20H19FN5+ MolecularWeight: 348.396763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)C=CC=N3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)C=CC=N3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H18FN5/c21-18-11-16-2-1-4-24-20(16)17(12-18)14-25-6-8-26(9-7-25)19-10-15(13-22)3-5-23-19/h1-5,10-12H,6-9,14H2/p+1