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

Systemtic Name: [3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)-dideuterio-methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]methanol diperchlorate Openeye Name: [3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)-dideuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]methanol diperchlorate CAS Name: [3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)-dideuteriomethyl]-4-methyl-5-thiazol-3-iumyl]methanol diperchlorate IUPAC Name: [3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)-dideuteriomethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]methanol diperchlorate Traditional Name: [3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)-dideuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]methanol diperchlorate Formula: C12H18Cl2N4O9S MolecularWeight: 467.276044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])(C1=C[N+](=C(N=C1N)C)C)[N+]2=CSC(=C2C)CO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H17N4OS.2ClHO4/c1-8-11(6-17)18-7-16(8)5-10-4-15(3)9(2)14-12(10)13;2*2-1(3,4)5/h4,7,13,17H,5-6H2,1-3H3;2*(H,2,3,4,5)/q+1;;/p-1/i5D2;;