1-[3-(2,4-dipentylphenoxy)propyl]-4-methyl-pyridin-1-ium chloride

Systemtic Name: 1-[3-(2,4-dipentylphenoxy)propyl]-4-methyl-pyridin-1-ium chloride Openeye Name: 1-[3-(2,4-dipentylphenoxy)propyl]-4-methyl-pyridin-1-ium chloride CAS Name: 1-[3-(2,4-dipentylphenoxy)propyl]-4-methylpyridin-1-ium chloride IUPAC Name: 1-[3-(2,4-dipentylphenoxy)propyl]-4-methylpyridin-1-ium chloride Traditional Name: 1-[3-(2,4-diamylphenoxy)propyl]-4-methyl-pyridin-1-ium chloride Formula: C25H38ClNO MolecularWeight: 404.02832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO.ClH/c1-4-6-8-11-23-13-14-25(24(21-23)12-9-7-5-2)27-20-10-17-26-18-15-22(3)16-19-26;/h13-16,18-19,21H,4-12,17,20H2,1-3H3;1H/q+1;/p-1