3-(6-ethyl-7-phenyl-[1,2,3]triazolo[4,5-a]phenanthridin-6-ium-3-yl)benzenecarboximidamide

Systemtic Name: 3-(6-ethyl-7-phenyl-[1,2,3]triazolo[4,5-a]phenanthridin-6-ium-3-yl)benzenecarboximidamide Openeye Name: 3-(6-ethyl-7-phenyl-triazolo[4,5-a]phenanthridin-6-ium-3-yl)benzamidine CAS Name: 3-(6-ethyl-7-phenyl-3-triazolo[4,5-a]phenanthridin-6-iumyl)benzenecarboximidamide IUPAC Name: 3-(6-ethyl-7-phenyltriazolo[4,5-a]phenanthridin-6-ium-3-yl)benzenecarboximidamide Traditional Name: 3-(6-ethyl-7-phenyl-triazolo[4,5-a]phenanthridin-6-ium-3-yl)benzamidine Formula: C28H23N6+ MolecularWeight: 443.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C3=C1C=CC4=C3N=NN4C5=CC=CC(=C5)C(=N)N)C6=CC=CC=C6

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C3=C1C=CC4=C3N=NN4C5=CC=CC(=C5)C(=N)N)C6=CC=CC=C6

InChI

InChI=1S/C28H23N6/c1-2-33-23-15-16-24-26(31-32-34(24)20-12-8-11-19(17-20)28(29)30)25(23)21-13-6-7-14-22(21)27(33)18-9-4-3-5-10-18/h3-17H,2H2,1H3,(H3,29,30)/q+1