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

Systemtic Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]ethyl-methyl-azanium chloride Openeye Name: 2-[3-(4-chlorophenyl)-6-methyl-isochroman-1-yl]ethyl-methyl-ammonium chloride CAS Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl-methylammonium chloride IUPAC Name: 2-[3-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]ethyl-methylazanium chloride Traditional Name: 2-[3-(4-chlorophenyl)-6-methyl-isochroman-1-yl]ethyl-methyl-ammonium chloride Formula: C19H23Cl2NO MolecularWeight: 352.29802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC(C2)C3=CC=C(C=C3)Cl)CC[NH2+]C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC(C2)C3=CC=C(C=C3)Cl)CC[NH2+]C.[Cl-]

InChI

InChI=1S/C19H22ClNO.ClH/c1-13-3-8-17-15(11-13)12-19(22-18(17)9-10-21-2)14-4-6-16(20)7-5-14;/h3-8,11,18-19,21H,9-10,12H2,1-2H3;1H