aminocarbonyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium; diethyl phosphate

Systemtic Name: aminocarbonyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium; diethyl phosphate Openeye Name: carbamoyl-ethyl-bis[2-(octadecanoylamino)ethyl]ammonium; diethyl phosphate CAS Name: carbamoyl-ethyl-bis[2-(1-oxooctadecylamino)ethyl]ammonium; diethyl phosphate IUPAC Name: carbamoyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium; diethyl phosphate Traditional Name: carbamoyl-ethyl-bis(2-stearamidoethyl)ammonium; diethyl phosphate Formula: C47H97N4O7P MolecularWeight: 861.269441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N.CCOP(=O)([O-])OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N.CCOP(=O)([O-])OCC

InChI

InChI=1S/C43H86N4O3.C4H11O4P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(48)45-37-39-47(6-3,43(44)50)40-38-46-42(49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-3-7-9(5,6)8-4-2/h4-40H2,1-3H3,(H3-,44,45,46,48,49,50);3-4H2,1-2H3,(H,5,6)