2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]ethyl-dimethyl-azanium chloride Openeye Name: 2-[3-(4-chlorophenyl)-6-methyl-isochroman-1-yl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl-dimethylammonium chloride IUPAC Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]ethyl-dimethylazanium chloride Traditional Name: 2-[3-(4-chlorophenyl)-6-methyl-isochroman-1-yl]ethyl-dimethyl-ammonium chloride Formula: C20H25Cl2NO MolecularWeight: 366.3246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC(C2)C3=CC=C(C=C3)Cl)CC[NH+](C)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC(C2)C3=CC=C(C=C3)Cl)CC[NH+](C)C.[Cl-]

InChI

InChI=1S/C20H24ClNO.ClH/c1-14-4-9-18-16(12-14)13-20(15-5-7-17(21)8-6-15)23-19(18)10-11-22(2)3;/h4-9,12,19-20H,10-11,13H2,1-3H3;1H