[(2R,3R)-4-oxidanylidene-2-phenyl-7-phenylmethoxy-2,3-dihydrochromen-3-yl]-propan-2-yl-azanium chloride

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-7-phenylmethoxy-2,3-dihydrochromen-3-yl]-propan-2-yl-azanium chloride Openeye Name: [(2R,3R)-7-benzyloxy-4-oxo-2-phenyl-chroman-3-yl]-isopropyl-ammonium chloride CAS Name: [(2R,3R)-4-oxo-2-phenyl-7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-propan-2-ylammonium chloride IUPAC Name: [(2R,3R)-4-oxo-2-phenyl-7-phenylmethoxy-2,3-dihydrochromen-3-yl]-propan-2-ylazanium chloride Traditional Name: [(2R,3R)-7-benzoxy-4-keto-2-phenyl-chroman-3-yl]-isopropyl-ammonium chloride Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1C(OC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(C)[NH2+][C@@H]1[C@H](OC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H25NO3.ClH/c1-17(2)26-23-24(27)21-14-13-20(28-16-18-9-5-3-6-10-18)15-22(21)29-25(23)19-11-7-4-8-12-19;/h3-15,17,23,25-26H,16H2,1-2H3;1H/t23-,25+;/m0./s1