trimethyl-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl]azanium

Systemtic Name: trimethyl-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl]azanium Openeye Name: trimethyl-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl]ammonium CAS Name: trimethyl-[2-[(E)-1-oxooctadec-9-enoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propyl]ammonium IUPAC Name: trimethyl-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl]azanium Traditional Name: trimethyl-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl]ammonium Formula: C42H80NO4+ MolecularWeight: 663.0889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,40H,6-19,24-39H2,1-5H3/q+1/b22-20-,23-21+