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

Systemtic Name: methyl 2-isoquinolin-2-ium-2-ylethanoate Openeye Name: methyl 2-isoquinolin-2-ium-2-ylacetate CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-isoquinolin-2-ium-2-ylacetate Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid methyl ester Formula: C12H12NO2+ MolecularWeight: 202.22918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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