5-bromanyl-N-[3-(4-ethylpyridin-1-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3-(4-ethylpyridin-1-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[3-(4-ethylpyridin-1-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-(4-ethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[3-(4-ethylpyridin-1-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3-(4-ethylpyridin-1-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Formula: C19H16BrN4O2S2+ MolecularWeight: 476.38994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H16BrN4O2S2/c1-2-13-9-11-24(12-10-13)19-18(21-14-5-3-4-6-15(14)22-19)23-28(25,26)17-8-7-16(20)27-17/h3-12H,2H2,1H3,(H,21,23)/q+1