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

Systemtic Name: methyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)benzoate Openeye Name: methyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoic acid methyl ester Formula: C19H17N2O3+ MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H16N2O3/c1-24-19(23)16-8-4-5-9-17(16)20-18(22)13-21-11-10-14-6-2-3-7-15(14)12-21/h2-12H,13H2,1H3/p+1