diethyl-methyl-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxyethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxyethyl]azanium iodide Openeye Name: diethyl-methyl-[2-(3-methyl-4-oxo-phthalazine-1-carbonyl)oxyethyl]ammonium iodide CAS Name: diethyl-methyl-[2-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethoxy]ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-(3-methyl-4-oxophthalazine-1-carbonyl)oxyethyl]azanium iodide Traditional Name: diethyl-[2-(4-keto-3-methyl-phthalazine-1-carbonyl)oxyethyl]-methyl-ammonium iodide Formula: C17H24IN3O3 MolecularWeight: 445.29523

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C17H24N3O3.HI/c1-5-20(4,6-2)11-12-23-17(22)15-13-9-7-8-10-14(13)16(21)19(3)18-15;/h7-10H,5-6,11-12H2,1-4H3;1H/q+1;/p-1