methyl 2-pyrimidin-1-ium-1-ylethanoate bromide

Systemtic Name: methyl 2-pyrimidin-1-ium-1-ylethanoate bromide Openeye Name: methyl 2-pyrimidin-1-ium-1-ylacetate bromide CAS Name: 2-(1-pyrimidin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-pyrimidin-1-ium-1-ylacetate bromide Traditional Name: 2-pyrimidin-1-ium-1-ylacetic acid methyl ester bromide Formula: C7H9BrN2O2 MolecularWeight: 233.06256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CN=C1.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=CN=C1.[Br-]

InChI

InChI=1S/C7H9N2O2.BrH/c1-11-7(10)5-9-4-2-3-8-6-9;/h2-4,6H,5H2,1H3;1H/q+1;/p-1