methyl 2-pyridin-1-ium-1-ylethanoate bromide

Systemtic Name: methyl 2-pyridin-1-ium-1-ylethanoate bromide Openeye Name: methyl 2-pyridin-1-ium-1-ylacetate bromide CAS Name: 2-(1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-pyridin-1-ium-1-ylacetate bromide Traditional Name: 2-pyridin-1-ium-1-ylacetic acid methyl ester bromide Formula: C8H10BrNO2 MolecularWeight: 232.0745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO2.BrH/c1-11-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1