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

Systemtic Name: cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Openeye Name: cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron CAS Name: cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylhydrazo]-oxomethyl]-1-pyridin-1-iumyl]boron IUPAC Name: cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Traditional Name: cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron Formula: C17H19BN4O3+ MolecularWeight: 338.16876

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18BN4O3/c1-12(14-4-5-15(24-2)16(10-14)25-3)20-21-17(23)13-6-8-22(9-7-13)18-11-19/h4-10,12,23H,1-3H3/p+1