1-tert-butylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-tert-butylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-tert-butylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-tert-butyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-tert-butylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-tert-butylpyridin-1-ium-4-carbonitrile bromide Formula: C10H13BrN2 MolecularWeight: 241.12762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CC=C(C=C1)C#N.[Br-]

Isomeric SMILES

CC(C)(C)[N+]1=CC=C(C=C1)C#N.[Br-]

InChI

InChI=1S/C10H13N2.BrH/c1-10(2,3)12-6-4-9(8-11)5-7-12;/h4-7H,1-3H3;1H/q+1;/p-1