1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)pyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)pyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-[2-(2-naphthyl)-2-oxo-ethyl]pyridin-1-ium-3-carbonitrile bromide CAS Name: 1-[2-(2-naphthalenyl)-2-oxoethyl]-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-(2-naphthalen-2-yl-2-oxoethyl)pyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-[2-keto-2-(2-naphthyl)ethyl]pyridin-1-ium-3-carbonitrile bromide Formula: C18H13BrN2O MolecularWeight: 353.21262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CC=CC(=C3)C#N.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CC=CC(=C3)C#N.[Br-]

InChI

InChI=1S/C18H13N2O.BrH/c19-11-14-4-3-9-20(12-14)13-18(21)17-8-7-15-5-1-2-6-16(15)10-17;/h1-10,12H,13H2;1H/q+1;/p-1