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

Systemtic Name: 2-(2-oxidanylidenepentyl)octadecyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: 2-(2-oxopentyl)octadecyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxopentyl)octadecyl 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxopentyl)octadecyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: 2-(2-ketopentyl)octadecyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Formula: C29H59NO5P+ MolecularWeight: 532.756221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)CCC)COP(=O)(O)OCC[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)20-4-2)27-35-36(32,33)34-25-24-30-22-18-19-23-30/h28H,3-27H2,1-2H3,(H,32,33)/p+1