methyl 2-quinolin-1-ium-1-ylethanoate

Systemtic Name: methyl 2-quinolin-1-ium-1-ylethanoate Openeye Name: methyl 2-quinolin-1-ium-1-ylacetate CAS Name: 2-(1-quinolin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-quinolin-1-ium-1-ylacetate Traditional Name: 2-quinolin-1-ium-1-ylacetic acid methyl ester Formula: C12H12NO2+ MolecularWeight: 202.22918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)C[N+]1=CC=CC2=CC=CC=C21

InChI

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