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

Systemtic Name: 2-[3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-1,3-thiazol-3-ium-2-yl]ethanol perchlorate Openeye Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]thiazol-3-ium-2-yl]ethanol perchlorate CAS Name: 2-[3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-2-thiazol-3-iumyl]ethanol perchlorate IUPAC Name: 2-[3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]-1,3-thiazol-3-ium-2-yl]ethanol perchlorate Traditional Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]thiazol-3-ium-2-yl]ethanol perchlorate Formula: C12H18ClN4O5S+ MolecularWeight: 365.81312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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