4,5-dihydro-1H-imidazol-1-ium; ethyl [(E)-3-ethyl-2-oxidanyl-nonadec-4-en-3-yl] sulfate

Systemtic Name: 4,5-dihydro-1H-imidazol-1-ium; ethyl [(E)-3-ethyl-2-oxidanyl-nonadec-4-en-3-yl] sulfate Openeye Name: 4,5-dihydro-1H-imidazol-1-ium; ethyl [(E)-1-ethyl-1-(1-hydroxyethyl)heptadec-2-enyl] sulfate CAS Name: 4,5-dihydro-1H-imidazol-1-ium; sulfuric acid ethyl [(E)-3-ethyl-2-hydroxynonadec-4-en-3-yl] ester IUPAC Name: 4,5-dihydro-1H-imidazol-1-ium; ethyl [(E)-3-ethyl-2-hydroxynonadec-4-en-3-yl] sulfate Traditional Name: 2-imidazolin-1-ium; sulfuric acid ethyl [(E)-1-ethyl-1-(1-hydroxyethyl)heptadec-2-enyl] ester Formula: C26H53N2O5S+ MolecularWeight: 505.77442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(CC)(C(C)O)OS(=O)(=O)OCC.C1CN=C[NH2+]1

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(CC)(C(C)O)OS(=O)(=O)OCC.C1CN=C[NH2+]1

InChI

InChI=1S/C23H46O5S.C3H6N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(6-2,22(4)24)28-29(25,26)27-7-3;1-2-5-3-4-1/h20-22,24H,5-19H2,1-4H3;3H,1-2H2,(H,4,5)/p+1/b21-20+;