ethyl 2-isoquinolin-2-ium-2-ylbutanoate

Systemtic Name: ethyl 2-isoquinolin-2-ium-2-ylbutanoate Openeye Name: ethyl 2-isoquinolin-2-ium-2-ylbutanoate CAS Name: 2-(2-isoquinolin-2-iumyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-isoquinolin-2-ium-2-ylbutanoate Traditional Name: 2-isoquinolin-2-ium-2-ylbutyric acid ethyl ester Formula: C15H18NO2+ MolecularWeight: 244.30892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO2/c1-3-14(15(17)18-4-2)16-10-9-12-7-5-6-8-13(12)11-16/h5-11,14H,3-4H2,1-2H3/q+1