2-(2-oxidanylidenepropyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenepropyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: 2-acetonylhenicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxopropyl)heneicosyl 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxopropyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: 2-acetonylheneicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Formula: C30H61NO5P+ MolecularWeight: 546.782801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30(27-29(2)32)28-36-37(33,34)35-26-25-31-23-20-21-24-31/h30H,3-28H2,1-2H3,(H,33,34)/p+1