2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(dimethylaminomethyl)-dimethyl-azanium

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(dimethylaminomethyl)-dimethyl-azanium Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(dimethylaminomethyl)-dimethyl-ammonium CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-(dimethylaminomethyl)-dimethylammonium IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(dimethylaminomethyl)-dimethylazanium Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(dimethylaminomethyl)-dimethyl-ammonium Formula: C44H85N2O4+ MolecularWeight: 706.1567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H85N2O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)49-40-42(39-46(5,6)41-45(3)4)50-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h21-24,42H,7-20,25-41H2,1-6H3/q+1/b23-21+,24-22+