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

Systemtic Name: (7-butoxy-3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl-dimethyl-azanium chloride Openeye Name: (7-butoxy-3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride CAS Name: (7-butoxy-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl-dimethylammonium chloride IUPAC Name: (7-butoxy-3-methyl-4-oxo-2-phenylchromen-8-yl)methyl-dimethylazanium chloride Traditional Name: (7-butoxy-4-keto-3-methyl-2-phenyl-chromen-8-yl)methyl-dimethyl-ammonium chloride Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C)C[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C)C[NH+](C)C.[Cl-]

InChI

InChI=1S/C23H27NO3.ClH/c1-5-6-14-26-20-13-12-18-21(25)16(2)22(17-10-8-7-9-11-17)27-23(18)19(20)15-24(3)4;/h7-13H,5-6,14-15H2,1-4H3;1H