5,8-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide

Systemtic Name: 5,8-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide Openeye Name: 5,8-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide CAS Name: 5,8-dimethoxy-2,3-bis(1-pyridin-1-iumylmethyl)quinoxaline dibromide IUPAC Name: 5,8-dimethoxy-2,3-bis(pyridin-1-ium-1-ylmethyl)quinoxaline dibromide Traditional Name: 5,8-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=C2C(=C(C=C1)OC)N=C(C(=N2)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

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

InChI

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