[(E,2S,3R)-2-azanyl-3-oxidanyl-heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E,2S,3R)-2-azanyl-3-oxidanyl-heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E,2S,3R)-2-amino-3-hydroxy-heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E,2S,3R)-2-amino-3-hydroxy-heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C22H47N2O5P MolecularWeight: 450.592741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O

InChI

InChI=1S/C22H47N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)21(23)20-29-30(26,27)28-19-18-24(2,3)4/h16-17,21-22,25H,5-15,18-20,23H2,1-4H3/b17-16+/t21-,22+/m0/s1