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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C#N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C#N)[N+](=O)[O-].[Br-]

InChI

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