[(E)-docos-13-en-2-yl]-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: [(E)-docos-13-en-2-yl]-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-[(E)-1-methylhenicos-12-enyl]ammonium CAS Name: [(E)-docos-13-en-2-yl]-(3-hydroxy-3-phosphonooxypropyl)-dimethylammonium IUPAC Name: [(E)-docos-13-en-2-yl]-(3-hydroxy-3-phosphonooxypropyl)-dimethylazanium Traditional Name: (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-[(E)-1-methylheneicos-12-enyl]ammonium Formula: C27H57NO5P+ MolecularWeight: 506.718941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(2)28(3,4)25-24-27(29)33-34(30,31)32/h12-13,26-27,29H,5-11,14-25H2,1-4H3,(H-,30,31,32)/p+1/b13-12+