7-(4-ethylpyridin-1-ium-1-yl)heptyl 2-(hexadecoxymethyl)pentyl phosphate

Systemtic Name: 7-(4-ethylpyridin-1-ium-1-yl)heptyl 2-(hexadecoxymethyl)pentyl phosphate Openeye Name: 7-(4-ethylpyridin-1-ium-1-yl)heptyl 2-(hexadecoxymethyl)pentyl phosphate CAS Name: 7-(4-ethyl-1-pyridin-1-iumyl)heptyl 2-(hexadecoxymethyl)pentyl phosphate IUPAC Name: 7-(4-ethylpyridin-1-ium-1-yl)heptyl 2-(hexadecoxymethyl)pentyl phosphate Traditional Name: 2-(cetyloxymethyl)pentyl 7-(4-ethylpyridin-1-ium-1-yl)heptyl phosphate Formula: C36H68NO5P MolecularWeight: 625.902581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H68NO5P/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-31-40-33-36(25-5-2)34-42-43(38,39)41-32-24-21-18-19-22-28-37-29-26-35(6-3)27-30-37/h26-27,29-30,36H,4-25,28,31-34H2,1-3H3