2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)isoquinolin-2-ium Formula: C22H26N+ MolecularWeight: 304.44854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC3=CC=CC=C3C=C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC3=CC=CC=C3C=C2)C)C(C)(C)C

InChI

InChI=1S/C22H26N/c1-16-12-20(22(3,4)5)13-17(2)21(16)15-23-11-10-18-8-6-7-9-19(18)14-23/h6-14H,15H2,1-5H3/q+1