2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-ethyl-(2-hydroxyethylamino)azanium

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-ethyl-(2-hydroxyethylamino)azanium Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-ethyl-(2-hydroxyethylamino)ammonium CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-ethoxycarbonyl-ethyl-(2-hydroxyethylamino)ammonium IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-ethyl-(2-hydroxyethylamino)azanium Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-carbethoxy-ethyl-(2-hydroxyethylamino)ammonium Formula: C46H87N2O7+ MolecularWeight: 780.19218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](CC)(C(=O)OCC)NCCO)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](CC)(C(=O)OCC)NCCO)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H87N2O7/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(50)54-42-43(41-48(7-3,47-39-40-49)46(52)53-8-4)55-45(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,43,47,49H,5-20,25-42H2,1-4H3/q+1/b23-21+,24-22+