2,8-bis[[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine tetrabromide

Systemtic Name: 2,8-bis[[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine tetrabromide Openeye Name: 2,8-bis[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenazine tetrabromide CAS Name: 2,8-bis[[4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]methyl]phenazine tetrabromide IUPAC Name: 2,8-bis[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenazine tetrabromide Traditional Name: 2,8-bis[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenazine tetrabromide Formula: C48H40Br4N6 MolecularWeight: 1020.4874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC5=C(C=C4)N=C6C=CC(=CC6=N5)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC9=CC=CC=C9.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC5=C(C=C4)N=C6C=CC(=CC6=N5)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC9=CC=CC=C9.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C48H40N6.4BrH/c1-3-7-37(8-4-1)33-51-23-15-41(16-24-51)43-19-27-53(28-20-43)35-39-11-13-45-47(31-39)50-48-32-40(12-14-46(48)49-45)36-54-29-21-44(22-30-54)42-17-25-52(26-18-42)34-38-9-5-2-6-10-38;;;;/h1-32H,33-36H2;4*1H/q+4;;;;/p-4