2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium chloride CAS Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 2-(4-tert-butylbenzyl)isoquinolin-2-ium chloride Formula: C20H22ClN MolecularWeight: 311.84838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N.ClH/c1-20(2,3)19-10-8-16(9-11-19)14-21-13-12-17-6-4-5-7-18(17)15-21;/h4-13,15H,14H2,1-3H3;1H/q+1;/p-1