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

Systemtic Name: [1-[ethylcarbamoyl(hexadecyl)amino]-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[ethylcarbamoyl(hexadecyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[ethylcarbamoyl(hexadecyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[ethylcarbamoyl(hexadecyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[cetyl(ethylcarbamoyl)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H90N3O6P MolecularWeight: 776.164961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCC

InChI

InChI=1S/C43H90N3O6P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-45(43(47)44-9-3)40-42(52-53(48,49)51-39-37-46(4,5)6)41-50-38-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h42H,7-41H2,1-6H3,(H-,44,47,48,49)