6-(4-ethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate

Systemtic Name: 6-(4-ethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate Openeye Name: 6-(4-ethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate CAS Name: 6-(4-ethyl-1-pyridin-1-iumyl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate IUPAC Name: 6-(4-ethylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate Traditional Name: 2-(cetyloxymethyl)pentyl 6-(4-ethylpyridin-1-ium-1-yl)hexyl hydrogen phosphate Formula: C35H67NO5P+ MolecularWeight: 612.883941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H66NO5P/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-22-30-39-32-35(24-5-2)33-41-42(37,38)40-31-23-20-18-21-27-36-28-25-34(6-3)26-29-36/h25-26,28-29,35H,4-24,27,30-33H2,1-3H3/p+1