diethyl-[2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyloxyethyl]azanium chloride

Systemtic Name: diethyl-[2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyloxyethyl]azanium chloride Openeye Name: diethyl-[2-(4-oxo-3-phenyl-phthalazine-1-carbonyl)oxyethyl]ammonium chloride CAS Name: diethyl-[2-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methoxy]ethyl]ammonium chloride IUPAC Name: diethyl-[2-(4-oxo-3-phenylphthalazine-1-carbonyl)oxyethyl]azanium chloride Traditional Name: diethyl-[2-(4-keto-3-phenyl-phthalazine-1-carbonyl)oxyethyl]ammonium chloride Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23N3O3.ClH/c1-3-23(4-2)14-15-27-21(26)19-17-12-8-9-13-18(17)20(25)24(22-19)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H