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

Systemtic Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; ethyl sulfate Openeye Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; ethyl sulfate CAS Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl sulfate; octadecanoic acid ethyl ester IUPAC Name: 3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium; ethyl octadecanoate; ethyl sulfate Traditional Name: 1-ethyl-2-heptadecyl-2-imidazolin-1-ium; ethyl sulfate; stearic acid ethyl ester Formula: C44H90N2O6S MolecularWeight: 775.2602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44N2.C20H40O2.C2H6O4S/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;1-2-6-7(3,4)5/h3-21H2,1-2H3;3-19H2,1-2H3;2H2,1H3,(H,3,4,5)