2-(2-oxidanylidenepropyl)octadecyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenepropyl)octadecyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Openeye Name: 2-acetonyloctadecyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate CAS Name: 2-(2-oxopropyl)octadecyl 4-(1-pyrrolidin-1-iumyl)butyl hydrogen phosphate IUPAC Name: 2-(2-oxopropyl)octadecyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Traditional Name: 2-acetonyloctadecyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Formula: C29H59NO5P+ MolecularWeight: 532.756221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H58NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29(26-28(2)31)27-35-36(32,33)34-25-20-19-24-30-22-17-18-23-30/h29H,3-27H2,1-2H3,(H,32,33)/p+1