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

Systemtic Name: 2-(2-oxidanylidenepropyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Openeye Name: 2-acetonylhenicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate CAS Name: 2-(2-oxopropyl)heneicosyl 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphate IUPAC Name: 2-(2-oxopropyl)henicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Traditional Name: 2-acetonylheneicosyl 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphate Formula: C31H63NO5P+ MolecularWeight: 560.809381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31(28-30(2)33)29-37-38(34,35)36-27-22-26-32-24-20-21-25-32/h31H,3-29H2,1-2H3,(H,34,35)/p+1