9-[[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide

Systemtic Name: 9-[[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Openeye Name: 9-[[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide CAS Name: 9-[[4-(1-butyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]methyl]acridine dibromide IUPAC Name: 9-[[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Traditional Name: 9-[[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Formula: C28H27Br2N3 MolecularWeight: 565.34208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

InChI

InChI=1S/C28H27N3.2BrH/c1-2-3-16-30-17-12-22(13-18-30)23-14-19-31(20-15-23)21-26-24-8-4-6-10-27(24)29-28-11-7-5-9-25(26)28;;/h4-15,17-20H,2-3,16,21H2,1H3;2*1H/q+2;;/p-2