[(2R,3S,4R)-4-oxidanyl-2-phenyl-3,4-dihydro-2H-chromen-3-yl]-propan-2-yl-azanium chloride

Systemtic Name: [(2R,3S,4R)-4-oxidanyl-2-phenyl-3,4-dihydro-2H-chromen-3-yl]-propan-2-yl-azanium chloride Openeye Name: [(2R,3S,4R)-4-hydroxy-2-phenyl-chroman-3-yl]-isopropyl-ammonium chloride CAS Name: [(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl]-propan-2-ylammonium chloride IUPAC Name: [(2R,3S,4R)-4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl]-propan-2-ylazanium chloride Traditional Name: [(2R,3S,4R)-4-hydroxy-2-phenyl-chroman-3-yl]-isopropyl-ammonium chloride Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC(C)[NH2+][C@H]1[C@@H](C2=CC=CC=C2O[C@@H]1C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C18H21NO2.ClH/c1-12(2)19-16-17(20)14-10-6-7-11-15(14)21-18(16)13-8-4-3-5-9-13;/h3-12,16-20H,1-2H3;1H/t16-,17+,18+;/m0./s1