[(E)-3-methyl-1-(trimethylazaniumyl)tricos-14-en-2-yl] hydrogen phosphate

Systemtic Name: [(E)-3-methyl-1-(trimethylazaniumyl)tricos-14-en-2-yl] hydrogen phosphate Openeye Name: [(E)-2-methyl-1-[(trimethylammonio)methyl]docos-13-enyl] hydrogen phosphate CAS Name: [(E)-3-methyl-1-(trimethylammonio)tricos-14-en-2-yl] hydrogen phosphate IUPAC Name: [(E)-3-methyl-1-(trimethylazaniumyl)tricos-14-en-2-yl] hydrogen phosphate Traditional Name: [(E)-2-methyl-1-[(trimethylammonio)methyl]docos-13-enyl] hydrogen phosphate Formula: C27H56NO4P MolecularWeight: 489.711601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCC(C)C(C[N+](C)(C)C)OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCC(C)C(C[N+](C)(C)C)OP(=O)(O)[O-]

InChI

InChI=1S/C27H56NO4P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(2)27(25-28(3,4)5)32-33(29,30)31/h13-14,26-27H,6-12,15-25H2,1-5H3,(H-,29,30,31)/b14-13+