2-[(2-chlorophenyl)methyl]-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride

Systemtic Name: 2-[(2-chlorophenyl)methyl]-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Openeye Name: 2-[(2-chlorophenyl)methyl]-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride CAS Name: 2-[(2-chlorophenyl)methyl]-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride IUPAC Name: 2-[(2-chlorophenyl)methyl]-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Traditional Name: 2-(2-chlorobenzyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Formula: C18H21Cl2N MolecularWeight: 322.27204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C[NH+]1CC3=CC=CC=C3Cl)C.[Cl-]

Isomeric SMILES

CC1(CC2=CC=CC=C2C[NH+]1CC3=CC=CC=C3Cl)C.[Cl-]

InChI

InChI=1S/C18H20ClN.ClH/c1-18(2)11-14-7-3-4-8-15(14)12-20(18)13-16-9-5-6-10-17(16)19;/h3-10H,11-13H2,1-2H3;1H