2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate

Systemtic Name: 2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate Openeye Name: 2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate CAS Name: 2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate IUPAC Name: 2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate Traditional Name: 2-methyl-1,3-benzoxazin-3-ium-4-one perchlorate Formula: C9H8ClNO6 MolecularWeight: 261.61592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=O)C2=CC=CC=C2O1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[NH+]C(=O)C2=CC=CC=C2O1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H7NO2.ClHO4/c1-6-10-9(11)7-4-2-3-5-8(7)12-6;2-1(3,4)5/h2-5H,1H3;(H,2,3,4,5)