(4-nitrophenyl) 5-oxidanylidene-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate

Systemtic Name: (4-nitrophenyl) 5-oxidanylidene-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate Openeye Name: (4-nitrophenyl) 5-oxo-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate CAS Name: 5-oxo-6-[(1,3,4,5-tetramethyl-2-imidazol-1-iumyl)thio]hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-oxo-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylhexanoate Traditional Name: 5-keto-6-[(1,3,4,5-tetramethylimidazol-1-ium-2-yl)thio]hexanoic acid (4-nitrophenyl) ester Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1C)SCC(=O)CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C([N+](=C(N1C)SCC(=O)CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H24N3O5S/c1-13-14(2)21(4)19(20(13)3)28-12-16(23)6-5-7-18(24)27-17-10-8-15(9-11-17)22(25)26/h8-11H,5-7,12H2,1-4H3/q+1