(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl ethanoate perchlorate

Systemtic Name: (4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl ethanoate perchlorate Openeye Name: (4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl acetate perchlorate CAS Name: acetic acid (4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl ester perchlorate IUPAC Name: (4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl acetate perchlorate Traditional Name: acetic acid (4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl ester perchlorate Formula: C9H14ClN3O6 MolecularWeight: 295.67696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)COC(=O)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)COC(=O)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H13N3O2.ClHO4/c1-6-11-9(10)8(4-12(6)3)5-14-7(2)13;2-1(3,4)5/h4,10H,5H2,1-3H3;(H,2,3,4,5)