1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C18H22ClNO MolecularWeight: 303.82638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)C[N+]2=CC=CC=C2)C)C.[Cl-]

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)C[N+]2=CC=CC=C2)C)C.[Cl-]

InChI

InChI=1S/C18H22NO.ClH/c1-12-13(2)15(4)18(16(5)14(12)3)17(20)11-19-9-7-6-8-10-19;/h6-10H,11H2,1-5H3;1H/q+1;/p-1