1-(4-propan-2-ylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride

Systemtic Name: 1-(4-propan-2-ylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-(4-isopropylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-(4-propan-2-ylphenyl)-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-(4-propan-2-ylphenyl)-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-p-cumenyl-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C16H18ClNO MolecularWeight: 275.77322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO.ClH/c1-13(2)14-6-8-15(9-7-14)16(18)12-17-10-4-3-5-11-17;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1