2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enoyl]-4,5-dihydroimidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate chloride

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enoyl]-4,5-dihydroimidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate chloride Openeye Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enoyl]-4,5-dihydroimidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate chloride CAS Name: (E)-9-octadecenoic acid 2-[3-(2-hydroxyethyl)-2-[(E)-1-oxooctadec-9-enyl]-4,5-dihydroimidazol-3-ium-1-yl]ethyl ester chloride IUPAC Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enoyl]-4,5-dihydroimidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate chloride Traditional Name: (E)-octadec-9-enoic acid 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enoyl]-2-imidazolin-3-ium-1-yl]ethyl ester chloride Formula: C43H79ClN2O4 MolecularWeight: 723.55136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=[N+](CCN1CCOC(=O)CCCCCCCC=CCCCCCCCC)CCO.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=[N+](CCN1CCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCO.[Cl-]

InChI

InChI=1S/C43H79N2O4.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)43-44(37-39-46)35-36-45(43)38-40-49-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,46H,3-16,21-40H2,1-2H3;1H/q+1;/p-1/b19-17+,20-18+;