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

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

Systemtic Name:1-[4-(2,4-dipentylphenoxy)butyl]-4-methyl-pyridin-1-ium chloride
Openeye Name:1-[4-(2,4-dipentylphenoxy)butyl]-4-methyl-pyridin-1-ium chloride
CAS Name:1-[4-(2,4-dipentylphenoxy)butyl]-4-methylpyridin-1-ium chloride
IUPAC Name:1-[4-(2,4-dipentylphenoxy)butyl]-4-methylpyridin-1-ium chloride
Traditional Name:1-[4-(2,4-diamylphenoxy)butyl]-4-methyl-pyridin-1-ium chloride
Formula: C26H40ClNO
MolecularWeight: 418.0549
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H40NO.ClH/c1-4-6-8-12-24-14-15-26(25(22-24)13-9-7-5-2)28-21-11-10-18-27-19-16-23(3)17-20-27;/h14-17,19-20,22H,4-13,18,21H2,1-3H3;1H/q+1;/p-1


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