5-[(3-azanylpyridin-1-ium-1-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine diperchlorate

Systemtic Name: 5-[(3-azanylpyridin-1-ium-1-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine diperchlorate Openeye Name: 5-[(3-aminopyridin-1-ium-1-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine diperchlorate CAS Name: 5-[(3-amino-1-pyridin-1-iumyl)methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine diperchlorate IUPAC Name: 5-[(3-aminopyridin-1-ium-1-yl)methyl]-1,2-dimethylpyrimidin-1-ium-4-amine diperchlorate Traditional Name: [1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]pyridin-1-ium-3-yl]amine diperchlorate Formula: C12H17Cl2N5O8 MolecularWeight: 430.19808

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C12H16N5.2ClHO4/c1-9-15-12(14)10(6-16(9)2)7-17-5-3-4-11(13)8-17;2*2-1(3,4)5/h3-6,8,14H,7,13H2,1-2H3;2*(H,2,3,4,5)/q+1;;/p-1