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

Systemtic Name: 1-dodecyl-1-ethyl-2,5-dimethyl-pyrrolidin-1-ium; ethyl hydrogen sulfate Openeye Name: 1-dodecyl-1-ethyl-2,5-dimethyl-pyrrolidin-1-ium; ethyl hydrogen sulfate CAS Name: 1-dodecyl-1-ethyl-2,5-dimethylpyrrolidin-1-ium; sulfuric acid ethyl ester IUPAC Name: 1-dodecyl-1-ethyl-2,5-dimethylpyrrolidin-1-ium; ethyl hydrogen sulfate Traditional Name: 1-ethyl-1-lauryl-2,5-dimethyl-pyrrolidin-1-ium; sulfuric acid ethyl ester Formula: C22H48NO4S+ MolecularWeight: 422.68582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-18-21(6-2)19(3)16-17-20(21)4;1-2-6-7(3,4)5/h19-20H,5-18H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;