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

Systemtic Name: [3-[[3-(butanoylamino)-5-oxidanylidene-henicosanoyl]-oxidanyl-phosphanyl]-3-oxidanylidene-propyl]-trimethyl-azanium Openeye Name: [3-[[3-(butanoylamino)-5-oxo-henicosanoyl]-hydroxy-phosphanyl]-3-oxo-propyl]-trimethyl-ammonium CAS Name: [3-[[1,5-dioxo-3-(1-oxobutylamino)heneicosyl]-hydroxyphosphino]-3-oxopropyl]-trimethylammonium IUPAC Name: [3-[[3-(butanoylamino)-5-oxohenicosanoyl]-hydroxyphosphanyl]-3-oxopropyl]-trimethylazanium Traditional Name: [3-[(3-butyramido-5-keto-heneicosanoyl)-hydroxy-phosphino]-3-keto-propyl]-trimethyl-ammonium Formula: C31H60N2O5P+ MolecularWeight: 571.792261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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