2-[[(E,3R)-3-acetyloxy-2-(hexanoylamino)dec-4-enyl]sulfanyl-methoxy-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E,3R)-3-acetyloxy-2-(hexanoylamino)dec-4-enyl]sulfanyl-methoxy-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E,3R)-3-acetoxy-2-(hexanoylamino)dec-4-enyl]sulfanyl-methoxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[[(E,3R)-3-acetyloxy-2-(1-oxohexylamino)dec-4-enyl]thio]-methoxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E,3R)-3-acetyloxy-2-(hexanoylamino)dec-4-enyl]sulfanyl-methoxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[[(E,3R)-3-acetoxy-2-(caproylamino)dec-4-enyl]thio]-methoxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C24H48N2O6PS+ MolecularWeight: 523.686481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C(CSP(=O)(OC)OCC[N+](C)(C)C)NC(=O)CCCCC)OC(=O)C

Isomeric SMILES

CCCCC/C=C/[C@H](C(CSP(=O)(OC)OCC[N+](C)(C)C)NC(=O)CCCCC)OC(=O)C

InChI

InChI=1S/C24H47N2O6PS/c1-8-10-12-13-15-16-23(32-21(3)27)22(25-24(28)17-14-11-9-2)20-34-33(29,30-7)31-19-18-26(4,5)6/h15-16,22-23H,8-14,17-20H2,1-7H3/p+1/b16-15+/t22?,23-,33?/m1/s1