1,3-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-ol diperchlorate

Systemtic Name: 1,3-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-ol diperchlorate Openeye Name: 1,3-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-ol diperchlorate CAS Name: 1,3-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-2-propanol diperchlorate IUPAC Name: 1,3-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-ol diperchlorate Traditional Name: 1,3-bis(4-pyrrolidinopyridin-1-ium-1-yl)propan-2-ol diperchlorate Formula: C21H30Cl2N4O9 MolecularWeight: 553.3903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)CC(C[N+]3=CC=C(C=C3)N4CCCC4)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)CC(C[N+]3=CC=C(C=C3)N4CCCC4)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H30N4O.2ClHO4/c26-21(17-22-13-5-19(6-14-22)24-9-1-2-10-24)18-23-15-7-20(8-16-23)25-11-3-4-12-25;2*2-1(3,4)5/h5-8,13-16,21,26H,1-4,9-12,17-18H2;2*(H,2,3,4,5)/q+2;;/p-2