(3-ethyl-7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl-dimethyl-azanium chloride

Systemtic Name: (3-ethyl-7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl-dimethyl-azanium chloride Openeye Name: (3-ethyl-7-hydroxy-4-oxo-2-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride CAS Name: (3-ethyl-7-hydroxy-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl-dimethylammonium chloride IUPAC Name: (3-ethyl-7-hydroxy-4-oxo-2-phenylchromen-8-yl)methyl-dimethylazanium chloride Traditional Name: (3-ethyl-7-hydroxy-4-keto-2-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+](C)C)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+](C)C)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H21NO3.ClH/c1-4-14-18(23)15-10-11-17(22)16(12-21(2)3)20(15)24-19(14)13-8-6-5-7-9-13;/h5-11,22H,4,12H2,1-3H3;1H