5-(4-tert-butylpyridin-1-ium-1-yl)pentan-2-one chloride

Systemtic Name: 5-(4-tert-butylpyridin-1-ium-1-yl)pentan-2-one chloride Openeye Name: 5-(4-tert-butylpyridin-1-ium-1-yl)pentan-2-one chloride CAS Name: 5-(4-tert-butyl-1-pyridin-1-iumyl)-2-pentanone chloride IUPAC Name: 5-(4-tert-butylpyridin-1-ium-1-yl)pentan-2-one chloride Traditional Name: 5-(4-tert-butylpyridin-1-ium-1-yl)pentan-2-one chloride Formula: C14H22ClNO MolecularWeight: 255.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC[N+]1=CC=C(C=C1)C(C)(C)C.[Cl-]

Isomeric SMILES

CC(=O)CCC[N+]1=CC=C(C=C1)C(C)(C)C.[Cl-]

InChI

InChI=1S/C14H22NO.ClH/c1-12(16)6-5-9-15-10-7-13(8-11-15)14(2,3)4;/h7-8,10-11H,5-6,9H2,1-4H3;1H/q+1;/p-1