1-ethyl-2-heptadecyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium; ethyl hydrogen sulfate

Systemtic Name: 1-ethyl-2-heptadecyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium; ethyl hydrogen sulfate Openeye Name: 1-allyl-1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium; ethyl hydrogen sulfate CAS Name: 1-ethyl-2-heptadecyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium; sulfuric acid ethyl ester IUPAC Name: 1-ethyl-2-heptadecyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium; ethyl hydrogen sulfate Traditional Name: 1-allyl-1-ethyl-2-heptadecyl-2-imidazolin-1-ium; sulfuric acid ethyl ester Formula: C27H55N2O4S+ MolecularWeight: 503.8016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CC=C.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CC=C.CCOS(=O)(=O)O

InChI

InChI=1S/C25H49N2.C2H6O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26-22-24-27(25,6-3)23-5-2;1-2-6-7(3,4)5/h5H,2,4,6-24H2,1,3H3;2H2,1H3,(H,3,4,5)/q+1;