(9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate

Systemtic Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate Openeye Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate CAS Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate IUPAC Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate Traditional Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1-methyl-2-imidazolin-1-ium-1-yl]ethyl]octadeca-9,12-dienamide; methyl sulfate Formula: C42H77N3O5S MolecularWeight: 736.14288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCC=CCC=CCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h12-15,18-21H,4-11,16-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b14-12-,15-13-,20-18-,21-19-;