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

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,5-dimethyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,5-dimethyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,5-dimethylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,5-dimethylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-2,5-dimethyl-pyridin-1-ium bromide Formula: C27H42BrNO MolecularWeight: 476.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42NO.BrH/c1-5-7-9-13-25-17-18-27(26(21-25)14-10-8-6-2)29-20-12-11-19-28-22-23(3)15-16-24(28)4;/h15-18,21-22H,5-14,19-20H2,1-4H3;1H/q+1;/p-1