methyl 2-isoquinolin-2-ium-2-ylethanoate bromide

Systemtic Name: methyl 2-isoquinolin-2-ium-2-ylethanoate bromide Openeye Name: methyl 2-isoquinolin-2-ium-2-ylacetate bromide CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-isoquinolin-2-ium-2-ylacetate bromide Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid methyl ester bromide Formula: C12H12BrNO2 MolecularWeight: 282.13318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

InChI

InChI=1S/C12H12NO2.BrH/c1-15-12(14)9-13-7-6-10-4-2-3-5-11(10)8-13;/h2-8H,9H2,1H3;1H/q+1;/p-1