cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron

Systemtic Name: cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron Openeye Name: cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron CAS Name: cyano-[3-[oxo-(1-phenylethylhydrazo)methyl]-1-pyridin-1-iumyl]boron IUPAC Name: cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron Traditional Name: cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron Formula: C15H15BN4O+ MolecularWeight: 278.1168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BN4O/c1-12(13-6-3-2-4-7-13)18-19-15(21)14-8-5-9-20(10-14)16-11-17/h2-10,12,18H,1H3,(H,19,21)/q+1