methyl 2-(2-phthalazin-2-ium-2-ylethanoylamino)benzoate iodide

Systemtic Name: methyl 2-(2-phthalazin-2-ium-2-ylethanoylamino)benzoate iodide Openeye Name: methyl 2-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoate iodide CAS Name: 2-[[1-oxo-2-(2-phthalazin-2-iumyl)ethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 2-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoate iodide Traditional Name: 2-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoic acid methyl ester iodide Formula: C18H16IN3O3 MolecularWeight: 449.24241

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=N2.[I-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=N2.[I-]

InChI

InChI=1S/C18H15N3O3.HI/c1-24-18(23)15-8-4-5-9-16(15)20-17(22)12-21-11-14-7-3-2-6-13(14)10-19-21;/h2-11H,12H2,1H3;1H