2-[[4-(pyridin-1-ium-2-ylmethyl)phenyl]methyl]pyridin-1-ium diperchlorate

Systemtic Name: 2-[[4-(pyridin-1-ium-2-ylmethyl)phenyl]methyl]pyridin-1-ium diperchlorate Openeye Name: 2-[[4-(pyridin-1-ium-2-ylmethyl)phenyl]methyl]pyridin-1-ium diperchlorate CAS Name: 2-[[4-(2-pyridin-1-iumylmethyl)phenyl]methyl]pyridin-1-ium diperchlorate IUPAC Name: 2-[[4-(pyridin-1-ium-2-ylmethyl)phenyl]methyl]pyridin-1-ium diperchlorate Traditional Name: 2-[4-(pyridin-1-ium-2-ylmethyl)benzyl]pyridin-1-ium diperchlorate Formula: C18H18Cl2N2O8 MolecularWeight: 461.25012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CC2=CC=C(C=C2)CC3=CC=CC=[NH+]3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=[NH+]C(=C1)CC2=CC=C(C=C2)CC3=CC=CC=[NH+]3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H16N2.2ClHO4/c1-3-11-19-17(5-1)13-15-7-9-16(10-8-15)14-18-6-2-4-12-20-18;2*2-1(3,4)5/h1-12H,13-14H2;2*(H,2,3,4,5)