2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate

Systemtic Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate Openeye Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate CAS Name: 2,3-dimethyl-5-(1-pyridin-1-iumylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate IUPAC Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate Traditional Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one diperchlorate Formula: C12H15Cl2N3O9 MolecularWeight: 416.1682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N3O.2ClHO4/c1-10-13-12(16)11(8-14(10)2)9-15-6-4-3-5-7-15;2*2-1(3,4)5/h3-8H,9H2,1-2H3;2*(H,2,3,4,5)/q+1;;/p-1