N-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate

Systemtic Name: N-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate Openeye Name: N-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate CAS Name: N-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)-1-phenazinecarboxamide perchlorate IUPAC Name: N-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate Traditional Name: N-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate Formula: C28H25ClN4O5 MolecularWeight: 532.9749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32)CC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=CC(=[N+]1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32)CC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H24N4O.ClHO4/c1-3-21-17-20(19-11-6-5-7-12-19)18-22(4-2)32(21)31-28(33)23-13-10-16-26-27(23)30-25-15-9-8-14-24(25)29-26;2-1(3,4)5/h5-18H,3-4H2,1-2H3;(H,2,3,4,5)