(E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicos-11-en-2-yl]octadec-9-enamide

Systemtic Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicos-11-en-2-yl]octadec-9-enamide Openeye Name: (E)-N-[(E)-18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-icos-10-enyl]octadec-9-enamide CAS Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)heneicos-11-en-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicos-11-en-2-yl]octadec-9-enamide Traditional Name: (E)-N-[(E)-18-(2-imidazolin-1-ium-1-yl)-1-methyl-eicos-10-enyl]octadec-9-enamide Formula: C42H80N3O+ MolecularWeight: 643.1041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C)CCCCCCCCC=CCCCCCCC(CC)[N+]1=CNCC1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)CCCCCCCC/C=C/CCCCCCC(CC)[N+]1=CNCC1

InChI

InChI=1S/C42H79N3O/c1-4-6-7-8-9-10-11-12-13-18-21-24-27-30-33-36-42(46)44-40(3)34-31-28-25-22-19-16-14-15-17-20-23-26-29-32-35-41(5-2)45-38-37-43-39-45/h12-13,15,17,39-41H,4-11,14,16,18-38H2,1-3H3,(H,44,46)/p+1/b13-12+,17-15+