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

Systemtic Name: 5-bromanyl-N-[3-[4-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide Openeye Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-5-bromo-thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-[4-(phenylmethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-2-thiophenesulfonamide IUPAC Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-5-bromothiophene-2-sulfonamide Traditional Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-5-bromo-thiophene-2-sulfonamide Formula: C24H18BrN4O2S2+ MolecularWeight: 538.45932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C24H18BrN4O2S2/c25-21-10-11-22(32-21)33(30,31)28-23-24(27-20-9-5-4-8-19(20)26-23)29-14-12-18(13-15-29)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,26,28)/q+1