5-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]pentylazanium dibromide

Systemtic Name: 5-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]pentylazanium dibromide Openeye Name: 5-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)pentylammonium dibromide CAS Name: 5-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)pentylammonium dibromide IUPAC Name: 5-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)pentylazanium dibromide Traditional Name: 5-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)pentylammonium dibromide Formula: C24H28Br2N4 MolecularWeight: 532.31392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCCC[NH3+])N)N.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCCC[NH3+])N)N.[Br-].[Br-]

InChI

InChI=1S/C24H26N4.2BrH/c25-13-5-2-6-14-28-23-16-19(27)10-12-21(23)20-11-9-18(26)15-22(20)24(28)17-7-3-1-4-8-17;;/h1,3-4,7-12,15-16,27H,2,5-6,13-14,25-26H2;2*1H