dimethyl-[2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl]azanium chloride

Systemtic Name: dimethyl-[2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl]azanium chloride Openeye Name: dimethyl-[2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride CAS Name: dimethyl-[2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl]ammonium chloride IUPAC Name: dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride Traditional Name: 2-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)oxyethyl-dimethyl-ammonium chloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H21NO4.ClH/c1-14-18(23)16-10-7-11-17(21(24)25-13-12-22(2)3)20(16)26-19(14)15-8-5-4-6-9-15;/h4-11H,12-13H2,1-3H3;1H