trimethyl-[2-[(3-octadecoxy-2-phenylmethoxy-propoxy)-oxidanyl-phosphoryl]ethyl]azanium

Systemtic Name: trimethyl-[2-[(3-octadecoxy-2-phenylmethoxy-propoxy)-oxidanyl-phosphoryl]ethyl]azanium Openeye Name: 2-[(2-benzyloxy-3-octadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]ethyl-trimethylazanium Traditional Name: 2-[(2-benzoxy-3-stearyloxy-propoxy)-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C33H63NO5P+ MolecularWeight: 584.830781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)OCC1=CC=CC=C1

InChI

InChI=1S/C33H62NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-37-30-33(38-29-32-24-21-20-22-25-32)31-39-40(35,36)28-26-34(2,3)4/h20-22,24-25,33H,5-19,23,26-31H2,1-4H3/p+1