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

Systemtic Name: dimethyl-[3-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxypropyl]azanium chloride Openeye Name: dimethyl-[3-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxypropyl]ammonium chloride CAS Name: dimethyl-[3-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]propyl]ammonium chloride IUPAC Name: dimethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride Traditional Name: 3-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)oxypropyl-dimethyl-ammonium chloride Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4.ClH/c1-15-19(24)17-11-7-12-18(22(25)26-14-8-13-23(2)3)21(17)27-20(15)16-9-5-4-6-10-16;/h4-7,9-12H,8,13-14H2,1-3H3;1H