1-(4-tert-butylphenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(1-pyrazin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-pyrazin-1-ium-1-ylethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-pyrazin-1-ium-1-yl-ethanone bromide Formula: C16H19BrN2O MolecularWeight: 335.23886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2O.BrH/c1-16(2,3)14-6-4-13(5-7-14)15(19)12-18-10-8-17-9-11-18;/h4-11H,12H2,1-3H3;1H/q+1;/p-1