[(E)-hexacos-17-en-6-yl]-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: [(E)-hexacos-17-en-6-yl]-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-[(E)-1-pentylhenicos-12-enyl]ammonium CAS Name: [(E)-hexacos-17-en-6-yl]-(3-hydroxy-3-phosphonooxypropyl)-dimethylammonium IUPAC Name: [(E)-hexacos-17-en-6-yl]-(3-hydroxy-3-phosphonooxypropyl)-dimethylazanium Traditional Name: [(E)-1-amylheneicos-12-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C31H65NO5P+ MolecularWeight: 562.825261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO5P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(26-24-8-6-2)32(3,4)29-28-31(33)37-38(34,35)36/h14-15,30-31,33H,5-13,16-29H2,1-4H3,(H-,34,35,36)/p+1/b15-14+