cyano-[4-[[1-(3-fluoranyl-4-methoxy-phenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron

Systemtic Name: cyano-[4-[[1-(3-fluoranyl-4-methoxy-phenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Openeye Name: cyano-[4-[[1-(3-fluoro-4-methoxy-phenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron CAS Name: cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylhydrazo]-oxomethyl]-1-pyridin-1-iumyl]boron IUPAC Name: cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Traditional Name: cyano-[4-[[1-(3-fluoro-4-methoxy-phenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Formula: C16H16BFN4O2+ MolecularWeight: 326.133243

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Descriptors Computed from Structure

Canonical SMILES:

[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C16H15BFN4O2/c1-11(13-3-4-15(24-2)14(18)9-13)20-21-16(23)12-5-7-22(8-6-12)17-10-19/h3-9,11,23H,1-2H3/p+1