1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenyl-pyridin-1-ium chloride

Systemtic Name: 1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenyl-pyridin-1-ium chloride Openeye Name: 1-[6-(5-hexyltetrahydrofuran-2-yl)oxyhexyl]-4-phenyl-pyridin-1-ium chloride CAS Name: 1-[6-[(5-hexyl-2-oxolanyl)oxy]hexyl]-4-phenylpyridin-1-ium chloride IUPAC Name: 1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenylpyridin-1-ium chloride Traditional Name: 1-[6-(5-hexyltetrahydrofuran-2-yl)oxyhexyl]-4-phenyl-pyridin-1-ium chloride Formula: C27H40ClNO2 MolecularWeight: 446.065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(O1)OCCCCCC[N+]2=CC=C(C=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCC1CCC(O1)OCCCCCC[N+]2=CC=C(C=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C27H40NO2.ClH/c1-2-3-4-10-15-26-16-17-27(30-26)29-23-12-6-5-11-20-28-21-18-25(19-22-28)24-13-8-7-9-14-24;/h7-9,13-14,18-19,21-22,26-27H,2-6,10-12,15-17,20,23H2,1H3;1H/q+1;/p-1