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

Systemtic Name: ethyl octadecanoate; 2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Openeye Name: ethyl octadecanoate; 2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate CAS Name: 2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate; octadecanoic acid ethyl ester IUPAC Name: ethyl octadecanoate; 2-heptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium; methyl sulfate Traditional Name: 2-heptadecyl-1-methyl-2-imidazolin-1-ium; methyl sulfate; stearic acid ethyl ester Formula: C42H86N2O6S MolecularWeight: 747.20704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)C.CCCCCCCCCCCCCCCCCC(=O)OCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)C.CCCCCCCCCCCCCCCCCC(=O)OCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H42N2.C20H40O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-5-6(2,3)4/h3-20H2,1-2H3;3-19H2,1-2H3;1H3,(H,2,3,4)