[(E)-2-(hexylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-2-(hexylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-2-(hexylamino)-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-2-(hexylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-2-(hexylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-2-(hexylamino)-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H61N2O5P MolecularWeight: 548.778801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COP(=O)([O-])OCC[N+](C)(C)C)NCCCCCC)O

InChI

InChI=1S/C29H61N2O5P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-29(32)28(30-24-22-11-9-7-2)27-36-37(33,34)35-26-25-31(3,4)5/h21,23,28-30,32H,6-20,22,24-27H2,1-5H3/b23-21+