[3-(butanoylamino)-2-heptadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-(butanoylamino)-2-heptadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-(butanoylamino)-2-heptadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-heptadecoxy-3-(1-oxobutylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-(butanoylamino)-2-heptadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-butyramido-2-heptadecoxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C29H61N2O6P MolecularWeight: 564.778201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C29H61N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-28(26-30-29(32)22-7-2)27-37-38(33,34)36-25-23-31(3,4)5/h28H,6-27H2,1-5H3,(H-,30,32,33,34)