1-[4-(2,4-dipentylphenoxy)butyl]-2,4,6-trimethyl-pyridin-1-ium bromide

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,4,6-trimethyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,4,6-trimethyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,4,6-trimethylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,4,6-trimethylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-2,4,6-trimethyl-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=C(C=C2C)C)C)CCCCC.[Br-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=C(C=C(C=C2C)C)C)CCCCC.[Br-]

InChI

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