3-[2-(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide; methanesulfonate

Systemtic Name: 3-[2-(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide; methanesulfonate Openeye Name: 3-[2-(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)iminohydrazino]benzamidine; methanesulfonate CAS Name: 3-[2-[(3-amino-5-ethyl-6-phenyl-8-phenanthridin-5-iumyl)imino]hydrazinyl]benzenecarboximidamide; methanesulfonate IUPAC Name: 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide; methanesulfonate Traditional Name: 3-[N'-(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)iminohydrazino]benzamidine mesylate Formula: C29H29N7O3S MolecularWeight: 555.65066

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)N=NNC5=CC=CC(=C5)C(=N)N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H25N7.CH4O3S/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;1-5(2,3)4/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H3,(H,2,3,4)