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

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methyl-pyridin-1-ium bromide Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methyl-pyridin-1-ium bromide CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methylpyridin-1-ium bromide IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-3-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(=C2)C)CCCCC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H40NO.BrH/c1-4-6-8-14-24-16-17-26(25(21-24)15-9-7-5-2)28-20-11-10-18-27-19-12-13-23(3)22-27;/h12-13,16-17,19,21-22H,4-11,14-15,18,20H2,1-3H3;1H/q+1;/p-1