2-[(3S)-3-(4-chlorophenyl)-1-oxidanylidene-4H-isochromen-3-yl]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[(3S)-3-(4-chlorophenyl)-1-oxidanylidene-4H-isochromen-3-yl]ethyl-dimethyl-azanium chloride Openeye Name: 2-[(3S)-3-(4-chlorophenyl)-1-oxo-isochroman-3-yl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(3S)-3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]ethyl-dimethylammonium chloride IUPAC Name: 2-[(3S)-3-(4-chlorophenyl)-1-oxo-4H-isochromen-3-yl]ethyl-dimethylazanium chloride Traditional Name: 2-[(3S)-3-(4-chlorophenyl)-1-keto-isochroman-3-yl]ethyl-dimethyl-ammonium chloride Formula: C19H21Cl2NO2 MolecularWeight: 366.28154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CC[C@@]1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C19H20ClNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;1H/t19-;/m1./s1