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

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(4-tert-butylbenzyl)isoquinolin-2-ium Formula: C20H22N+ MolecularWeight: 276.39538

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N/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/q+1