[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl-dimethyl-azanium chloride Openeye Name: [2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl-dimethyl-ammonium chloride CAS Name: [2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-1-benzopyran-3-yl]methyl-dimethylammonium chloride IUPAC Name: [2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl-dimethylazanium chloride Traditional Name: [4-(4-fluorophenyl)-2-p-phenetyl-4H-chromen-3-yl]methyl-dimethyl-ammonium chloride Formula: C26H27ClFNO2 MolecularWeight: 439.949483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C[NH+](C)C.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C[NH+](C)C.[Cl-]

InChI

InChI=1S/C26H26FNO2.ClH/c1-4-29-21-15-11-19(12-16-21)26-23(17-28(2)3)25(18-9-13-20(27)14-10-18)22-7-5-6-8-24(22)30-26;/h5-16,25H,4,17H2,1-3H3;1H