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

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2-methylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-2-methyl-pyridin-1-ium bromide Formula: C26H40BrNO MolecularWeight: 462.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40NO.BrH/c1-4-6-8-15-24-17-18-26(25(22-24)16-9-7-5-2)28-21-13-12-20-27-19-11-10-14-23(27)3;/h10-11,14,17-19,22H,4-9,12-13,15-16,20-21H2,1-3H3;1H/q+1;/p-1