(E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide

Systemtic Name: (E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide Openeye Name: (E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide CAS Name: (E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]-9-octadecenamide IUPAC Name: (E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide Traditional Name: (E)-N-[1-[4-methyl-2-[(E)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethyl]octadec-9-enamide Formula: C42H78N3O+ MolecularWeight: 641.08822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=[N+](C(=CN1)C)C(C)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=[N+](C(=CN1)C)C(C)NC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H77N3O/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41-43-38-39(3)45(41)40(4)44-42(46)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h19-22,38,40H,5-18,23-37H2,1-4H3,(H,44,46)/p+1/b21-19+,22-20+