1-(2-methyl-5-propan-2-yl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-(2-methyl-5-propan-2-yl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(5-isopropyl-2-methyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-(2-methyl-5-propan-2-ylphenyl)-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(2-methyl-5-propan-2-ylphenyl)-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-(5-isopropyl-2-methyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C17H20INO MolecularWeight: 381.25127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)C(=O)C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)C(=O)C[N+]2=CC=CC=C2.[I-]

InChI

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