2-(2-oxidanylidenebutyl)icosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)icosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)icosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)eicosyl 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)icosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)eicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Formula: C30H61NO5P+ MolecularWeight: 546.782801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29(27-30(32)4-2)28-36-37(33,34)35-26-25-31-23-20-21-24-31/h29H,3-28H2,1-2H3,(H,33,34)/p+1