(2-ethylisoquinolin-2-ium-5-yl) ethanoate

Systemtic Name: (2-ethylisoquinolin-2-ium-5-yl) ethanoate Openeye Name: (2-ethylisoquinolin-2-ium-5-yl) acetate CAS Name: acetic acid (2-ethyl-5-isoquinolin-2-iumyl) ester IUPAC Name: (2-ethylisoquinolin-2-ium-5-yl) acetate Traditional Name: acetic acid (2-ethylisoquinolin-2-ium-5-yl) ester Formula: C13H14NO2+ MolecularWeight: 216.25576

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=C(C=C1)C(=CC=C2)OC(=O)C

Isomeric SMILES

CC[N+]1=CC2=C(C=C1)C(=CC=C2)OC(=O)C

InChI

InChI=1S/C13H14NO2/c1-3-14-8-7-12-11(9-14)5-4-6-13(12)16-10(2)15/h4-9H,3H2,1-2H3/q+1