6-(4-aminophenyl)-N8-(2-azanyl-1,6-dimethyl-pyridin-1-ium-4-yl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide

Systemtic Name: 6-(4-aminophenyl)-N8-(2-azanyl-1,6-dimethyl-pyridin-1-ium-4-yl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide Openeye Name: N8-(2-amino-1,6-dimethyl-pyridin-1-ium-4-yl)-6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide CAS Name: N8-(2-amino-1,6-dimethyl-4-pyridin-1-iumyl)-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine dibromide IUPAC Name: 8-N-(2-amino-1,6-dimethylpyridin-1-ium-4-yl)-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine dibromide Traditional Name: [3-amino-6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-8-yl]-(2-amino-1,6-dimethyl-pyridin-1-ium-4-yl)amine dibromide Formula: C27H28Br2N6 MolecularWeight: 596.35942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)NC2=CC3=C([N+](=C4C=C(C=CC4=C3C=C2)N)C)C5=CC=C(C=C5)N)N)C.[Br-].[Br-]

Isomeric SMILES

CC1=[N+](C(=CC(=C1)NC2=CC3=C([N+](=C4C=C(C=CC4=C3C=C2)N)C)C5=CC=C(C=C5)N)N)C.[Br-].[Br-]

InChI

InChI=1S/C27H26N6.2BrH/c1-16-12-21(15-26(30)32(16)2)31-20-9-11-22-23-10-8-19(29)13-25(23)33(3)27(24(22)14-20)17-4-6-18(28)7-5-17;;/h4-15H,1-3H3,(H5,28,29,30,31);2*1H