2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium chloride

Systemtic Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium chloride Openeye Name: 1-[4-(1,1-dimethylhexyl)phenoxy]-2-ethyl-pyridin-1-ium chloride CAS Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium chloride IUPAC Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium chloride Traditional Name: 1-[4-(1,1-dimethylhexyl)phenoxy]-2-ethyl-pyridin-1-ium chloride Formula: C21H30ClNO MolecularWeight: 347.922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)O[N+]2=CC=CC=C2CC.[Cl-]

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)O[N+]2=CC=CC=C2CC.[Cl-]

InChI

InChI=1S/C21H30NO.ClH/c1-5-7-9-16-21(3,4)18-12-14-20(15-13-18)23-22-17-10-8-11-19(22)6-2;/h8,10-15,17H,5-7,9,16H2,1-4H3;1H/q+1;/p-1