2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-(2-octadecoxyethoxy)ethyl phosphate dihydrate

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-(2-octadecoxyethoxy)ethyl phosphate dihydrate Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-(2-octadecoxyethoxy)ethyl phosphate dihydrate CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl 2-(2-octadecoxyethoxy)ethyl phosphate dihydrate IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-(2-octadecoxyethoxy)ethyl phosphate dihydrate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-(2-stearyloxyethoxy)ethyl phosphate dihydrate Formula: C29H64NO8P MolecularWeight: 585.794121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOCCOP(=O)([O-])OCC[N+]1(CCCC1)C.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOCCOP(=O)([O-])OCC[N+]1(CCCC1)C.O.O

InChI

InChI=1S/C29H60NO6P.2H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-26-27-34-28-29-36-37(31,32)35-25-23-30(2)21-18-19-22-30;;/h3-29H2,1-2H3;2*1H2