6-(3,5-dimethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl phosphate

Systemtic Name: 6-(3,5-dimethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl phosphate Openeye Name: 6-(3,5-dimethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl phosphate CAS Name: 6-(3,5-dimethyl-1-pyridin-1-iumyl)hexyl 2-(hexadecoxymethyl)pentyl phosphate IUPAC Name: 6-(3,5-dimethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl phosphate Traditional Name: 2-(cetyloxymethyl)pentyl 6-(3,5-dimethylpyridin-1-ium-1-yl)hexyl phosphate Formula: C35H66NO5P MolecularWeight: 611.876001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COP(=O)([O-])OCCCCCC[N+]1=CC(=CC(=C1)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COP(=O)([O-])OCCCCCC[N+]1=CC(=CC(=C1)C)C

InChI

InChI=1S/C35H66NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-22-26-39-31-35(24-6-2)32-41-42(37,38)40-27-23-20-18-21-25-36-29-33(3)28-34(4)30-36/h28-30,35H,5-27,31-32H2,1-4H3