3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; bromide

Systemtic Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; bromide Openeye Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; bromide CAS Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; octadecanoic acid ethyl ester; bromide IUPAC Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; bromide Traditional Name: 1-ethyl-2-heptadecyl-2-imidazolin-1-ium; stearic acid ethyl ester; bromide Formula: C42H85BrN2O2 MolecularWeight: 730.0405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)CC.CCCCCCCCCCCCCCCCCC(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)CC.CCCCCCCCCCCCCCCCCC(=O)OCC.[Br-]

InChI

InChI=1S/C22H44N2.C20H40O2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24(22)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;/h3-21H2,1-2H3;3-19H2,1-2H3;1H