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

Systemtic Name: 4-[[2-(hexadecoxymethyl)-4-oxidanylidene-heptoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-(hexadecoxymethyl)-4-oxo-heptoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-(hexadecoxymethyl)-4-oxoheptoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-(hexadecoxymethyl)-4-oxoheptoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[2-(cetyloxymethyl)-4-keto-heptoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C31H65NO5P+ MolecularWeight: 562.825261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H65NO5P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-25-35-28-30(27-31(33)23-7-2)29-37-38(34)36-26-22-20-24-32(3,4)5/h30,34H,6-29H2,1-5H3/q+1