N-(4-ethylphenyl)-2-phthalazin-2-ium-2-yl-ethanamide iodide

Systemtic Name: N-(4-ethylphenyl)-2-phthalazin-2-ium-2-yl-ethanamide iodide Openeye Name: N-(4-ethylphenyl)-2-phthalazin-2-ium-2-yl-acetamide iodide CAS Name: N-(4-ethylphenyl)-2-(2-phthalazin-2-iumyl)acetamide iodide IUPAC Name: N-(4-ethylphenyl)-2-phthalazin-2-ium-2-ylacetamide iodide Traditional Name: N-(4-ethylphenyl)-2-phthalazin-2-ium-2-yl-acetamide iodide Formula: C18H18IN3O MolecularWeight: 419.25949

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2.[I-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2.[I-]

InChI

InChI=1S/C18H17N3O.HI/c1-2-14-7-9-17(10-8-14)20-18(22)13-21-12-16-6-4-3-5-15(16)11-19-21;/h3-12H,2,13H2,1H3;1H