N-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenazine-1-carboxamide perchlorate

Systemtic Name: N-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenazine-1-carboxamide perchlorate Openeye Name: N-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate CAS Name: N-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]-1-phenazinecarboxamide perchlorate IUPAC Name: N-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenazine-1-carboxamide perchlorate Traditional Name: N-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)phenazine-1-carboxamide perchlorate Formula: C30H29ClN4O5 MolecularWeight: 561.02806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32)C(C)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32)C(C)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H28N4O.ClHO4/c1-19(2)27-17-22(21-11-6-5-7-12-21)18-28(20(3)4)34(27)33-30(35)23-13-10-16-26-29(23)32-25-15-9-8-14-24(25)31-26;2-1(3,4)5/h5-20H,1-4H3;(H,2,3,4,5)