[5-[[3-(butanoylamino)-5-oxidanylidene-icosanoyl]-oxidanyl-phosphanyl]-5-oxidanylidene-pentyl]-dimethyl-azanium

Systemtic Name: [5-[[3-(butanoylamino)-5-oxidanylidene-icosanoyl]-oxidanyl-phosphanyl]-5-oxidanylidene-pentyl]-dimethyl-azanium Openeye Name: [5-[[3-(butanoylamino)-5-oxo-icosanoyl]-hydroxy-phosphanyl]-5-oxo-pentyl]-dimethyl-ammonium CAS Name: [5-[[1,5-dioxo-3-(1-oxobutylamino)eicosyl]-hydroxyphosphino]-5-oxopentyl]-dimethylammonium IUPAC Name: [5-[[3-(butanoylamino)-5-oxoicosanoyl]-hydroxyphosphanyl]-5-oxopentyl]-dimethylazanium Traditional Name: [5-[(3-butyramido-5-keto-eicosanoyl)-hydroxy-phosphino]-5-keto-pentyl]-dimethyl-ammonium Formula: C31H60N2O5P+ MolecularWeight: 571.792261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCC[NH+](C)C)O)NC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCC[NH+](C)C)O)NC(=O)CCC

InChI

InChI=1S/C31H59N2O5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-28(34)25-27(32-29(35)21-6-2)26-31(37)39(38)30(36)23-19-20-24-33(3)4/h27,38H,5-26H2,1-4H3,(H,32,35)/p+1