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

Systemtic Name: 2-(hexadecoxymethyl)pentyl 7-(4-methylpyridin-1-ium-1-yl)heptyl hydrogen phosphate Openeye Name: 2-(hexadecoxymethyl)pentyl 7-(4-methylpyridin-1-ium-1-yl)heptyl hydrogen phosphate CAS Name: 2-(hexadecoxymethyl)pentyl 7-(4-methyl-1-pyridin-1-iumyl)heptyl hydrogen phosphate IUPAC Name: 2-(hexadecoxymethyl)pentyl 7-(4-methylpyridin-1-ium-1-yl)heptyl hydrogen phosphate Traditional Name: 2-(cetyloxymethyl)pentyl 7-(4-methylpyridin-1-ium-1-yl)heptyl hydrogen phosphate Formula: C35H67NO5P+ MolecularWeight: 612.883941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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