4-[[2-(hexadecoxymethyl)-4-oxidanylidene-pentoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[[2-(hexadecoxymethyl)-4-oxidanylidene-pentoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-(hexadecoxymethyl)-4-oxo-pentoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-(hexadecoxymethyl)-4-oxopentoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-(hexadecoxymethyl)-4-oxopentoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[2-(cetyloxymethyl)-4-keto-pentoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCCC[N+](C)(C)C

InChI

InChI=1S/C29H61NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-26-29(25-28(2)31)27-35-36(32)34-24-21-19-22-30(3,4)5/h29,32H,6-27H2,1-5H3/q+1