6,7-dimethyl-1-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethyl-1-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 6,7-dimethyl-1-(p-tolylmethyl)isoquinolin-2-ium chloride CAS Name: 6,7-dimethyl-1-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 6,7-dimethyl-1-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 6,7-dimethyl-1-(4-methylbenzyl)isoquinolin-2-ium chloride Formula: C19H20ClN MolecularWeight: 297.8218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)C)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)C)C.[Cl-]

InChI

InChI=1S/C19H19N.ClH/c1-13-4-6-16(7-5-13)12-19-18-11-15(3)14(2)10-17(18)8-9-20-19;/h4-11H,12H2,1-3H3;1H