1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate

Systemtic Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate Openeye Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate CAS Name: 1,2-dimethyl-5-(1-pyridin-1-iumylmethyl)-4-pyrimidin-1-iumamine diperchlorate IUPAC Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate Traditional Name: [1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-yl]amine diperchlorate Formula: C12H16Cl2N4O8 MolecularWeight: 415.18344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[N+]2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[N+]2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H15N4.2ClHO4/c1-10-14-12(13)11(8-15(10)2)9-16-6-4-3-5-7-16;2*2-1(3,4)5/h3-8,13H,9H2,1-2H3;2*(H,2,3,4,5)/q+1;;/p-1