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

Systemtic Name: 6-(4-tert-butylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate Openeye Name: 6-(4-tert-butylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate CAS Name: 6-(4-tert-butyl-1-pyridin-1-iumyl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate IUPAC Name: 6-(4-tert-butylpyridin-1-ium-1-yl)hexyl 2-(hexadecoxymethyl)pentyl hydrogen phosphate Traditional Name: 6-(4-tert-butylpyridin-1-ium-1-yl)hexyl 2-(cetyloxymethyl)pentyl hydrogen phosphate Formula: C37H71NO5P+ MolecularWeight: 640.937101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H70NO5P/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23-31-41-33-35(25-7-2)34-43-44(39,40)42-32-24-21-19-22-28-38-29-26-36(27-30-38)37(3,4)5/h26-27,29-30,35H,6-25,28,31-34H2,1-5H3/p+1