1-[[2,5-dimethoxy-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide

Systemtic Name: 1-[[2,5-dimethoxy-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide Openeye Name: 1-[[2,5-dimethoxy-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide CAS Name: 1-[[2,5-dimethoxy-4-(1-pyridin-1-iumylmethyl)phenyl]methyl]pyridin-1-ium dibromide IUPAC Name: 1-[[2,5-dimethoxy-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide Traditional Name: 1-[2,5-dimethoxy-4-(pyridin-1-ium-1-ylmethyl)benzyl]pyridin-1-ium dibromide Formula: C20H22Br2N2O2 MolecularWeight: 482.20888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[N+]2=CC=CC=C2)OC)C[N+]3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1C[N+]2=CC=CC=C2)OC)C[N+]3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C20H22N2O2.2BrH/c1-23-19-13-18(16-22-11-7-4-8-12-22)20(24-2)14-17(19)15-21-9-5-3-6-10-21;;/h3-14H,15-16H2,1-2H3;2*1H/q+2;;/p-2