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

Systemtic Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azanium Openeye Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonium CAS Name: 3,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-dimethylammonium IUPAC Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethylazanium Traditional Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonium Formula: C41H78NO4+ MolecularWeight: 649.06232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CC[NH+](C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(OC(=O)CCCCCCC/C=C/CCCCCCCC)CC[NH+](C)C

InChI

InChI=1S/C41H77NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)45-41(37-38-42(3)4)46-40(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-38H2,1-4H3/p+1/b21-19+,22-20+