1-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(4-tert-butylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C21H22NO+ MolecularWeight: 304.40548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO/c1-21(2,3)19-10-8-17(9-11-19)20(23)15-22-13-12-16-6-4-5-7-18(16)14-22/h4-14H,15H2,1-3H3/q+1