1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol diperchlorate

Systemtic Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol diperchlorate Openeye Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol diperchlorate CAS Name: 1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol diperchlorate IUPAC Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol diperchlorate Traditional Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol diperchlorate Formula: C21H25Cl2N3O9 MolecularWeight: 534.3439

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H25N3O.2ClHO4/c1-22(2)20-10-14-24(15-11-20)17-21(25)16-23-12-8-19(9-13-23)18-6-4-3-5-7-18;2*2-1(3,4)5/h3-15,21,25H,16-17H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2