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

Systemtic Name: 9-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Openeye Name: 9-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide CAS Name: 9-[[4-(1-propyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]methyl]acridine dibromide IUPAC Name: 9-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Traditional Name: 9-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]acridine dibromide Formula: C27H25Br2N3 MolecularWeight: 551.3155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3.2BrH/c1-2-15-29-16-11-21(12-17-29)22-13-18-30(19-14-22)20-25-23-7-3-5-9-26(23)28-27-10-6-4-8-24(25)27;;/h3-14,16-19H,2,15,20H2,1H3;2*1H/q+2;;/p-2