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

Systemtic Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium Openeye Name: 1-[4-(1,1-dimethylhexyl)phenoxy]-2-ethyl-pyridin-1-ium CAS Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium IUPAC Name: 2-ethyl-1-[4-(2-methylheptan-2-yl)phenoxy]pyridin-1-ium Traditional Name: 1-[4-(1,1-dimethylhexyl)phenoxy]-2-ethyl-pyridin-1-ium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO/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/q+1