cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron

Systemtic Name: cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron Openeye Name: cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron CAS Name: cyano-[4-[[(3,4-dimethoxyphenyl)methylhydrazo]-oxomethyl]-1-pyridin-1-iumyl]boron IUPAC Name: cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron Traditional Name: cyano-[4-[(veratrylamino)carbamoyl]pyridin-1-ium-1-yl]boron Formula: C16H17BN4O3+ MolecularWeight: 324.14218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BN4O3/c1-23-14-4-3-12(9-15(14)24-2)10-19-20-16(22)13-5-7-21(8-6-13)17-11-18/h3-9,19H,10H2,1-2H3,(H,20,22)/q+1