cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron

Systemtic Name: cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron Openeye Name: cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron CAS Name: cyano-[4-[oxo-[[3-(trifluoromethyl)phenyl]methylhydrazo]methyl]-1-pyridin-1-iumyl]boron IUPAC Name: cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron Traditional Name: cyano-[4-[[[3-(trifluoromethyl)benzyl]amino]carbamoyl]pyridin-1-ium-1-yl]boron Formula: C15H12BF3N4O+ MolecularWeight: 332.08819

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Descriptors Computed from Structure

Canonical SMILES:

[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H12BF3N4O/c17-15(18,19)13-3-1-2-11(8-13)9-21-22-14(24)12-4-6-23(7-5-12)16-10-20/h1-8,21H,9H2,(H,22,24)/q+1