2-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 2-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 2-(p-tolylmethyl)isoquinolin-2-ium chloride CAS Name: 2-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 2-[(4-methylphenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 2-(4-methylbenzyl)isoquinolin-2-ium chloride Formula: C17H16ClN MolecularWeight: 269.76864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C17H16N.ClH/c1-14-6-8-15(9-7-14)12-18-11-10-16-4-2-3-5-17(16)13-18;/h2-11,13H,12H2,1H3;1H/q+1;/p-1