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

Systemtic Name: dimethyl-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]azanium chloride Openeye Name: (7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride CAS Name: (7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl-dimethylammonium chloride IUPAC Name: (7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl-dimethylazanium chloride Traditional Name: (7-hydroxy-4-keto-3-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C18H17NO3.ClH/c1-19(2)10-14-16(20)9-8-13-17(21)15(11-22-18(13)14)12-6-4-3-5-7-12;/h3-9,11,20H,10H2,1-2H3;1H