5-methyl-2,7-diphenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate

Systemtic Name: 5-methyl-2,7-diphenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate Openeye Name: 5-methyl-2,7-diphenyl-isoxazolo[2,3-a]pyrimidin-8-ium perchlorate CAS Name: 5-methyl-2,7-diphenylisoxazolo[2,3-a]pyrimidin-8-ium perchlorate IUPAC Name: 5-methyl-2,7-diphenyl-[1,2]oxazolo[2,3-a]pyrimidin-8-ium perchlorate Traditional Name: 5-methyl-2,7-diphenyl-isoxazolo[2,3-a]pyrimidin-8-ium perchlorate Formula: C19H15ClN2O5 MolecularWeight: 386.7858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)OC(=C2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)OC(=C2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H15N2O.ClHO4/c1-14-12-17(15-8-4-2-5-9-15)21-19(20-14)13-18(22-21)16-10-6-3-7-11-16;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1