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

Systemtic Name: methyl-[4-[[2-(octadecoxymethyl)-4-oxidanylidene-pentoxy]-oxidanyl-phosphanyl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxo-pentoxy]phosphanyl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxopentoxy]phosphino]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-(octadecoxymethyl)-4-oxopentoxy]phosphanyl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(stearyloxymethyl)pentoxy]phosphino]oxybutyl-methyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[NH2+]C

InChI

InChI=1S/C29H60NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-26-29(25-28(2)31)27-35-36(32)34-24-21-19-22-30-3/h29-30,32H,4-27H2,1-3H3/p+1