(1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile bromide

Systemtic Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile bromide Openeye Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile bromide CAS Name: (1S,2S)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarbonitrile bromide IUPAC Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile bromide Traditional Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile bromide Formula: C13H12BrN3 MolecularWeight: 290.15848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C#N)C#N)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H12N3.BrH/c14-9-11-4-5-13(8-12(11)10-15)16-6-2-1-3-7-16;/h1-3,5-7,11-12H,4,8H2;1H/q+1;/p-1/t11-,12-;/m1./s1