2-(2-oxidanylidenepentyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenepentyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: 2-(2-oxopentyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxopentyl)heneicosyl 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxopentyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: 2-(2-ketopentyl)heneicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Formula: C32H65NO5P+ MolecularWeight: 574.835961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CCC)COP(=O)(O)OCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CCC)COP(=O)(O)OCC[NH+]1CCCC1

InChI

InChI=1S/C32H64NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31(29-32(34)23-4-2)30-38-39(35,36)37-28-27-33-25-21-22-26-33/h31H,3-30H2,1-2H3,(H,35,36)/p+1