ethyl 2-(3-methylisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)ethanoate Openeye Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)acetate CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)acetic acid ethyl ester Formula: C14H16NO2+ MolecularWeight: 230.28234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1C

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1C

InChI

InChI=1S/C14H16NO2/c1-3-17-14(16)10-15-9-13-7-5-4-6-12(13)8-11(15)2/h4-9H,3,10H2,1-2H3/q+1