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

Systemtic Name: butan-2-yl-[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl]azanium chloride Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl]-sec-butyl-ammonium chloride CAS Name: butan-2-yl-[(2R,3R)-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium chloride IUPAC Name: butan-2-yl-[(2R,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]azanium chloride Traditional Name: [(2R,3R)-4-keto-2-phenyl-chroman-3-yl]-sec-butyl-ammonium chloride Formula: C19H22ClNO2 MolecularWeight: 331.83648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC(C)[NH2+][C@@H]1[C@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H21NO2.ClH/c1-3-13(2)20-17-18(21)15-11-7-8-12-16(15)22-19(17)14-9-5-4-6-10-14;/h4-13,17,19-20H,3H2,1-2H3;1H/t13?,17-,19+;/m0./s1