1-[4-(2,4-dipentylphenoxy)butyl]-2,3-dimethyl-pyridin-1-ium bromide

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,3-dimethyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,3-dimethyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,3-dimethylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-2,3-dimethylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-2,3-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=CC=CC(=C2C)C)CCCCC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H42NO.BrH/c1-5-7-9-15-25-17-18-27(26(22-25)16-10-8-6-2)29-21-12-11-19-28-20-13-14-23(3)24(28)4;/h13-14,17-18,20,22H,5-12,15-16,19,21H2,1-4H3;1H/q+1;/p-1