4-cyano-2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-cyano-2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C19H20FN4O+ MolecularWeight: 339.386703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C19H19FN4O/c1-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-19(25)15-7-6-14(13-21)12-16(15)20/h2-7,12H,8-11H2,1H3,(H,22,25)/p+1