1-[4-(2,4-dipentylphenoxy)butyl]-5-ethyl-2-methyl-pyridin-1-ium bromide

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-5-ethyl-2-methyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-5-ethyl-2-methyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-5-ethyl-2-methylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-5-ethyl-2-methylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-5-ethyl-2-methyl-pyridin-1-ium bromide Formula: C28H44BrNO MolecularWeight: 490.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=C(C=CC(=C2)CC)C)CCCCC.[Br-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=C(C=CC(=C2)CC)C)CCCCC.[Br-]

InChI

InChI=1S/C28H44NO.BrH/c1-5-8-10-14-26-18-19-28(27(22-26)15-11-9-6-2)30-21-13-12-20-29-23-25(7-3)17-16-24(29)4;/h16-19,22-23H,5-15,20-21H2,1-4H3;1H/q+1;/p-1