1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride

Systemtic Name: 1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-(4-tert-butylphenyl)-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C17H20ClNO MolecularWeight: 289.7998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO.ClH/c1-17(2,3)15-9-7-14(8-10-15)16(19)13-18-11-5-4-6-12-18;/h4-12H,13H2,1-3H3;1H/q+1;/p-1