1,5-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)pentan-3-one diperchlorate

Systemtic Name: 1,5-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)pentan-3-one diperchlorate Openeye Name: 1,5-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)pentan-3-one diperchlorate CAS Name: 1,5-bis(2-methyl-3-phenyl-1-benzimidazol-1-iumyl)-3-pentanone diperchlorate IUPAC Name: 1,5-bis(2-methyl-3-phenylbenzimidazol-1-ium-1-yl)pentan-3-one diperchlorate Traditional Name: 1,5-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)pentan-3-one diperchlorate Formula: C33H32Cl2N4O9 MolecularWeight: 699.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1C3=CC=CC=C3)CCC(=O)CC[N+]4=C(N(C5=CC=CC=C54)C6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1C3=CC=CC=C3)CCC(=O)CC[N+]4=C(N(C5=CC=CC=C54)C6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H32N4O.2ClHO4/c1-25-34(30-17-9-11-19-32(30)36(25)27-13-5-3-6-14-27)23-21-29(38)22-24-35-26(2)37(28-15-7-4-8-16-28)33-20-12-10-18-31(33)35;2*2-1(3,4)5/h3-20H,21-24H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2