(5-bromanylthiophen-2-yl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (5-bromanylthiophen-2-yl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: (5-bromo-2-thienyl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide CAS Name: (5-bromo-2-thiophenyl)sulfonyl-[3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]azanide IUPAC Name: (5-bromothiophen-2-yl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Traditional Name: (5-bromo-2-thienyl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Formula: C26H21BrN4O2S2 MolecularWeight: 565.50454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C26H21BrN4O2S2/c27-23-13-14-24(34-23)35(32,33)30-25-26(29-22-12-5-4-11-21(22)28-25)31-17-15-20(16-18-31)10-6-9-19-7-2-1-3-8-19/h1-5,7-8,11-18H,6,9-10H2