dimethyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride

Systemtic Name: dimethyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride Openeye Name: dimethyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium chloride CAS Name: dimethyl-bis[1-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium chloride IUPAC Name: dimethyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride Traditional Name: dimethyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium chloride Formula: C42H80ClNO4 MolecularWeight: 698.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)[N+](C)(C)C(C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC([N+](C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)(C)C)C.[Cl-]

InChI

InChI=1S/C42H80NO4.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(44)46-39(3)43(5,6)40(4)47-42(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h21-24,39-40H,7-20,25-38H2,1-6H3;1H/q+1;/p-1/b23-21+,24-22+;