ethyl 2-isoquinolin-2-ium-2-ylethanoate bromide

Systemtic Name: ethyl 2-isoquinolin-2-ium-2-ylethanoate bromide Openeye Name: ethyl 2-isoquinolin-2-ium-2-ylacetate bromide CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-isoquinolin-2-ium-2-ylacetate bromide Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid ethyl ester bromide Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NO2.BrH/c1-2-16-13(15)10-14-8-7-11-5-3-4-6-12(11)9-14;/h3-9H,2,10H2,1H3;1H/q+1;/p-1