1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carbonitrile bromide CAS Name: 1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-3-carbonitrile bromide Formula: C13H10BrN3O2 MolecularWeight: 320.1414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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