1-chloranyl-3-[2-(3-chloranyl-2-oxidanyl-propyl)-3,5-dimethyl-pyrazol-2-ium-1-yl]propan-2-ol perchlorate

Systemtic Name: 1-chloranyl-3-[2-(3-chloranyl-2-oxidanyl-propyl)-3,5-dimethyl-pyrazol-2-ium-1-yl]propan-2-ol perchlorate Openeye Name: 1-chloro-3-[2-(3-chloro-2-hydroxy-propyl)-3,5-dimethyl-pyrazol-2-ium-1-yl]propan-2-ol perchlorate CAS Name: 1-chloro-3-[2-(3-chloro-2-hydroxypropyl)-3,5-dimethyl-1-pyrazol-2-iumyl]-2-propanol perchlorate IUPAC Name: 1-chloro-3-[2-(3-chloro-2-hydroxypropyl)-3,5-dimethylpyrazol-2-ium-1-yl]propan-2-ol perchlorate Traditional Name: 1-chloro-3-[2-(3-chloro-2-hydroxy-propyl)-3,5-dimethyl-pyrazol-2-ium-1-yl]propan-2-ol perchlorate Formula: C11H19Cl3N2O6 MolecularWeight: 381.63736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1CC(CCl)O)CC(CCl)O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](N1CC(CCl)O)CC(CCl)O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H19Cl2N2O2.ClHO4/c1-8-3-9(2)15(7-11(17)5-13)14(8)6-10(16)4-12;2-1(3,4)5/h3,10-11,16-17H,4-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1