2-(2-oxidanylidenepentyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenepentyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Openeye Name: 2-(2-oxopentyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate CAS Name: 2-(2-oxopentyl)heneicosyl 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphate IUPAC Name: 2-(2-oxopentyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Traditional Name: 2-(2-ketopentyl)heneicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Formula: C33H67NO5P+ MolecularWeight: 588.862541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H66NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(30-33(35)24-4-2)31-39-40(36,37)38-29-23-28-34-26-21-22-27-34/h32H,3-31H2,1-2H3,(H,36,37)/p+1