[1-[ethylcarbamoyl(hexadecyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[ethylcarbamoyl(hexadecyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[ethylcarbamoyl(hexadecyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[ethylcarbamoyl(hexadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[ethylcarbamoyl(hexadecyl)amino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[cetyl(ethylcarbamoyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C47H98N3O6P MolecularWeight: 832.271281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C47H98N3O6P/c1-7-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-42-54-45-46(56-57(52,53)55-43-41-50(4,5)6)44-49(47(51)48-9-3)40-38-36-34-32-30-28-23-21-19-17-15-13-11-8-2/h46H,7-45H2,1-6H3,(H-,48,51,52,53)