methyl 2-(2-isoquinolin-2-ium-2-ylethanoyl)benzoate

Systemtic Name: methyl 2-(2-isoquinolin-2-ium-2-ylethanoyl)benzoate Openeye Name: methyl 2-(2-isoquinolin-2-ium-2-ylacetyl)benzoate CAS Name: 2-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-isoquinolin-2-ium-2-ylacetyl)benzoate Traditional Name: 2-(2-isoquinolin-2-ium-2-ylacetyl)benzoic acid methyl ester Formula: C19H16NO3+ MolecularWeight: 306.33524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H16NO3/c1-23-19(22)17-9-5-4-8-16(17)18(21)13-20-11-10-14-6-2-3-7-15(14)12-20/h2-12H,13H2,1H3/q+1