6,7-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide

Systemtic Name: 6,7-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide Openeye Name: 6,7-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide CAS Name: 6,7-dimethoxy-2,3-bis(1-pyridin-1-iumylmethyl)quinoxaline dibromide IUPAC Name: 6,7-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide Traditional Name: 6,7-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide Formula: C22H22Br2N4O2 MolecularWeight: 534.24368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(C(=N2)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4)OC.[Br-].[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(C(=N2)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4)OC.[Br-].[Br-]

InChI

InChI=1S/C22H22N4O2.2BrH/c1-27-21-13-17-18(14-22(21)28-2)24-20(16-26-11-7-4-8-12-26)19(23-17)15-25-9-5-3-6-10-25;;/h3-14H,15-16H2,1-2H3;2*1H/q+2;;/p-2