2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate Openeye Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]-1-imidazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-3-ium-1-yl]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[3-(2-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-3-ium-1-yl]ethyl ester Formula: C43H79N2O3+ MolecularWeight: 672.09896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=[N+](C=CN1CCOC(=O)CCCCCCCC=CCCCCCCCC)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=[N+](C=CN1CCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCO

InChI

InChI=1S/C43H79N2O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42-44(38-40-46)36-37-45(42)39-41-48-43(47)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,36-37,46H,3-16,21-35,38-41H2,1-2H3/q+1/b19-17+,20-18+