1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-carbonitrile bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-carbonitrile bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-carbonitrile bromide CAS Name: 1-[(4-nitrophenyl)methyl]-2-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-carbonitrile bromide Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-2-carbonitrile bromide Formula: C13H10BrN3O2 MolecularWeight: 320.1414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C#N)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C#N)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H10N3O2.BrH/c14-9-13-3-1-2-8-15(13)10-11-4-6-12(7-5-11)16(17)18;/h1-8H,10H2;1H/q+1;/p-1