1-ethyl-2,5-dimethyl-1-octadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate

Systemtic Name: 1-ethyl-2,5-dimethyl-1-octadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate Openeye Name: 1-ethyl-2,5-dimethyl-1-octadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate CAS Name: 1-ethyl-2,5-dimethyl-1-octadecylpyrrolidin-1-ium; sulfuric acid ethyl ester IUPAC Name: 1-ethyl-2,5-dimethyl-1-octadecylpyrrolidin-1-ium; ethyl hydrogen sulfate Traditional Name: 1-ethyl-2,5-dimethyl-1-stearyl-pyrrolidin-1-ium; sulfuric acid ethyl ester Formula: C28H60NO4S+ MolecularWeight: 506.8453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(CCC1C)C)CC.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(CCC1C)C)CC.CCOS(=O)(=O)O

InChI

InChI=1S/C26H54N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(6-2)25(3)22-23-26(27)4;1-2-6-7(3,4)5/h25-26H,5-24H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;