[(2R)-1-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium chloride

Systemtic Name: [(2R)-1-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium chloride Openeye Name: [(1R)-1-benzyl-2-(2-methyl-4-oxo-3-phenoxy-chromen-7-yl)oxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2R)-1-[(2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]-1-oxo-3-phenylpropan-2-yl]ammonium chloride IUPAC Name: [(2R)-1-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxy-1-oxo-3-phenylpropan-2-yl]azanium chloride Traditional Name: [(1R)-1-benzyl-2-keto-2-(4-keto-2-methyl-3-phenoxy-chromen-7-yl)oxy-ethyl]ammonium chloride Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)[NH3+])OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@@H](CC3=CC=CC=C3)[NH3+])OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H21NO5.ClH/c1-16-24(30-18-10-6-3-7-11-18)23(27)20-13-12-19(15-22(20)29-16)31-25(28)21(26)14-17-8-4-2-5-9-17;/h2-13,15,21H,14,26H2,1H3;1H/t21-;/m1./s1