(E)-octadec-9-enoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide

Systemtic Name: (E)-octadec-9-enoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide Openeye Name: (E)-octadec-9-enoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide CAS Name: (E)-9-octadecenoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethyl]-9-octadecenamide IUPAC Name: (E)-octadec-9-enoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide Traditional Name: (E)-octadec-9-enoate; (E)-N-[2-[2-[(E)-octadec-9-enyl]-2-imidazolin-1-ium-1-yl]ethyl]octadec-9-enamide Formula: C59H111N3O3 MolecularWeight: 910.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=[N+](CCN1)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=[N+](CCN1)CCNC(=O)CCCCCCC/C=C/CCCCCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C41H77N3O.C18H34O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-40-42-36-38-44(40)39-37-43-41(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17-20H,3-16,21-39H2,1-2H3,(H,43,45);9-10H,2-8,11-17H2,1H3,(H,19,20)/b19-17+,20-18+;10-9+