2-(2-oxidanylidenepentyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenepentyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Openeye Name: 2-(2-oxopentyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate CAS Name: 2-(2-oxopentyl)eicosyl 4-(1-pyrrolidin-1-iumyl)butyl hydrogen phosphate IUPAC Name: 2-(2-oxopentyl)icosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Traditional Name: 2-(2-ketopentyl)eicosyl 4-pyrrolidin-1-ium-1-ylbutyl hydrogen phosphate Formula: C33H67NO5P+ MolecularWeight: 588.862541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H66NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-32(30-33(35)24-4-2)31-39-40(36,37)38-29-23-22-28-34-26-20-21-27-34/h32H,3-31H2,1-2H3,(H,36,37)/p+1