dimethyl-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: dimethyl-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]ammonium CAS Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]propyl]ammonium IUPAC Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]azanium Traditional Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]ammonium Formula: C26H52N2O6P+ MolecularWeight: 519.674641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O

InChI

InChI=1S/C26H51N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34-35(31,32)33/h8-9,11-12,25,29H,4-7,10,13-24H2,1-3H3,(H2-,27,30,31,32,33)/p+1/b9-8+,12-11+