2-[3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol diperchlorate

Systemtic Name: 2-[3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol diperchlorate Openeye Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol diperchlorate CAS Name: 2-[3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol diperchlorate IUPAC Name: 2-[3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol diperchlorate Traditional Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol diperchlorate Formula: C13H20Cl2N4O9S MolecularWeight: 479.2903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=C[N+](=C(N=C2N)C)C)CCO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(SC=[N+]1CC2=C[N+](=C(N=C2N)C)C)CCO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H19N4OS.2ClHO4/c1-9-12(4-5-18)19-8-17(9)7-11-6-16(3)10(2)15-13(11)14;2*2-1(3,4)5/h6,8,14,18H,4-5,7H2,1-3H3;2*(H,2,3,4,5)/q+1;;/p-1