4-[[(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide chloride hydrochloride

Systemtic Name: 4-[[(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide chloride hydrochloride Openeye Name: 4-[(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amino]azobenzamidine chloride hydrochloride CAS Name: 4-[(3-amino-5-ethyl-6-phenyl-8-phenanthridin-5-iumyl)amino]azobenzenecarboximidamide chloride hydrochloride IUPAC Name: 4-[[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide chloride hydrochloride Traditional Name: 4-[(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amino]azobenzamidine chloride hydrochloride Formula: C28H27Cl2N7 MolecularWeight: 532.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NN=NC5=CC=C(C=C5)C(=N)N)N.Cl.[Cl-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NN=NC5=CC=C(C=C5)C(=N)N)N.Cl.[Cl-]

InChI

InChI=1S/C28H25N7.2ClH/c1-2-35-26-16-20(29)10-14-24(26)23-15-13-22(17-25(23)27(35)18-6-4-3-5-7-18)33-34-32-21-11-8-19(9-12-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H