methyl 2-(2,5-dimethylpyrazin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(2,5-dimethylpyrazin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(2,5-dimethylpyrazin-1-ium-1-yl)acetate bromide CAS Name: 2-(2,5-dimethyl-1-pyrazin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(2,5-dimethylpyrazin-1-ium-1-yl)acetate bromide Traditional Name: 2-(2,5-dimethylpyrazin-1-ium-1-yl)acetic acid methyl ester bromide Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=[N+]1CC(=O)OC)C.[Br-]

Isomeric SMILES

CC1=CN=C(C=[N+]1CC(=O)OC)C.[Br-]

InChI

InChI=1S/C9H13N2O2.BrH/c1-7-5-11(6-9(12)13-3)8(2)4-10-7;/h4-5H,6H2,1-3H3;1H/q+1;/p-1