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

Systemtic Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyl-icos-11-en-2-yl]octadec-9-enamide Openeye Name: (E)-N-[(E)-18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1,1-dimethyl-nonadec-10-enyl]octadec-9-enamide CAS Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyleicos-11-en-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[(E)-19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methylicos-11-en-2-yl]octadec-9-enamide Traditional Name: (E)-N-[(E)-18-(2-imidazolin-1-ium-1-yl)-1,1-dimethyl-nonadec-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)(C)CCCCCCCCC=CCCCCCCC(C)[N+]1=CNCC1

Isomeric SMILES

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

InChI

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