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

Systemtic Name: 2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate Openeye Name: 2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate CAS Name: 2-methyl-5-(1-pyridin-1-iumylmethyl)-4-pyrimidin-1-iumamine diperchlorate IUPAC Name: 2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-amine diperchlorate Traditional Name: [2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-1-ium-4-yl]amine diperchlorate Formula: C11H14Cl2N4O8 MolecularWeight: 401.15686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N4.2ClHO4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15;2*2-1(3,4)5/h2-7H,8H2,1H3,(H2,12,13,14);2*(H,2,3,4,5)/q+1;;/p-1