6,7-dimethyl-2-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate

Systemtic Name: 6,7-dimethyl-2-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate Openeye Name: 6,7-dimethyl-2-phenyl-isoxazolo[2,3-a]pyrimidin-8-ium perchlorate CAS Name: 6,7-dimethyl-2-phenylisoxazolo[2,3-a]pyrimidin-8-ium perchlorate IUPAC Name: 6,7-dimethyl-2-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate Traditional Name: 6,7-dimethyl-2-phenyl-isoxazolo[2,3-a]pyrimidin-8-ium perchlorate Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=C(O[N+]2=C1C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CN=C2C=C(O[N+]2=C1C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H13N2O.ClHO4/c1-10-9-15-14-8-13(17-16(14)11(10)2)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