2-(2-oxidanylidenebutyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)eicosyl 4-(1-pyrrolidin-1-iumyl)butyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)eicosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Formula: C32H65NO5P+ MolecularWeight: 574.835961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCC[NH+]1CCCC1

InChI

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