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

Systemtic Name: 2-(2-oxidanylidenepropyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Openeye Name: 2-acetonyloctadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate CAS Name: 2-(2-oxopropyl)octadecyl 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphate IUPAC Name: 2-(2-oxopropyl)octadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Traditional Name: 2-acetonyloctadecyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Formula: C28H57NO5P+ MolecularWeight: 518.729641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28(25-27(2)30)26-34-35(31,32)33-24-19-23-29-21-17-18-22-29/h28H,3-26H2,1-2H3,(H,31,32)/p+1