dimethyl-[4-[[2-(octadecoxymethyl)-4-oxidanylidene-pentoxy]-oxidanyl-phosphanyl]oxybutyl]azanium

Systemtic Name: dimethyl-[4-[[2-(octadecoxymethyl)-4-oxidanylidene-pentoxy]-oxidanyl-phosphanyl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxo-pentoxy]phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxopentoxy]phosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxopentoxy]phosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(stearyloxymethyl)pentoxy]phosphino]oxybutyl-dimethyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[NH+](C)C

InChI

InChI=1S/C30H62NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-27-30(26-29(2)32)28-36-37(33)35-25-22-20-23-31(3)4/h30,33H,5-28H2,1-4H3/p+1