[5-[[3-(butanoylamino)-5-oxidanylidene-henicosanoyl]-oxidanyl-phosphanyl]-5-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [5-[[3-(butanoylamino)-5-oxidanylidene-henicosanoyl]-oxidanyl-phosphanyl]-5-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [5-[[3-(butanoylamino)-5-oxo-henicosanoyl]-hydroxy-phosphanyl]-5-oxo-pentyl]-trimethyl-ammonium CAS Name: [5-[[1,5-dioxo-3-(1-oxobutylamino)heneicosyl]-hydroxyphosphino]-5-oxopentyl]-trimethylammonium IUPAC Name: [5-[[3-(butanoylamino)-5-oxohenicosanoyl]-hydroxyphosphanyl]-5-oxopentyl]-trimethylazanium Traditional Name: [5-[(3-butyramido-5-keto-heneicosanoyl)-hydroxy-phosphino]-5-keto-pentyl]-trimethyl-ammonium Formula: C33H64N2O5P+ MolecularWeight: 599.845421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCC[N+](C)(C)C)O)NC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCC[N+](C)(C)C)O)NC(=O)CCC

InChI

InChI=1S/C33H63N2O5P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(36)27-29(34-31(37)23-7-2)28-33(39)41(40)32(38)25-21-22-26-35(3,4)5/h29,40H,6-28H2,1-5H3/p+1