6-chloranyl-5,7-dimethyl-1-phenyl-pyrazolo[1,5-a]pyrimidin-8-ium perchlorate

Systemtic Name: 6-chloranyl-5,7-dimethyl-1-phenyl-pyrazolo[1,5-a]pyrimidin-8-ium perchlorate Openeye Name: 6-chloro-5,7-dimethyl-1-phenyl-pyrazolo[1,5-a]pyrimidin-8-ium perchlorate CAS Name: 6-chloro-5,7-dimethyl-1-phenylpyrazolo[1,5-a]pyrimidin-8-ium perchlorate IUPAC Name: 6-chloro-5,7-dimethyl-1-phenylpyrazolo[1,5-a]pyrimidin-8-ium perchlorate Traditional Name: 6-chloro-5,7-dimethyl-1-phenyl-pyrazolo[1,5-a]pyrimidin-8-ium perchlorate Formula: C14H13Cl2N3O4 MolecularWeight: 358.17672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+]2C(=N1)C=CN2C3=CC=CC=C3)C)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=[N+]2C(=N1)C=CN2C3=CC=CC=C3)C)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H13ClN3.ClHO4/c1-10-14(15)11(2)18-13(16-10)8-9-17(18)12-6-4-3-5-7-12;2-1(3,4)5/h3-9H,1-2H3;(H,2,3,4,5)/q+1;/p-1