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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-(2-hydroxyethylamino)-methyl-azanium Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-(2-hydroxyethylamino)-methyl-ammonium CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-ethoxycarbonyl-(2-hydroxyethylamino)-methylammonium IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethoxycarbonyl-(2-hydroxyethylamino)-methylazanium Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-carbethoxy-(2-hydroxyethylamino)-methyl-ammonium Formula: C45H85N2O7+ MolecularWeight: 766.1656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H85N2O7/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(49)53-41-42(40-47(4,46-38-39-48)45(51)52-7-3)54-44(50)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h20-23,42,46,48H,5-19,24-41H2,1-4H3/q+1/b22-20+,23-21+