2-(2-oxidanylidenebutyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)octadecyl 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Formula: C29H59NO5P+ MolecularWeight: 532.756221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H58NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(26-29(31)4-2)27-35-36(32,33)34-25-20-24-30-22-18-19-23-30/h28H,3-27H2,1-2H3,(H,32,33)/p+1