2-methyl-1H-quinazolin-3-ium-4-one perchlorate

Systemtic Name: 2-methyl-1H-quinazolin-3-ium-4-one perchlorate Openeye Name: 2-methyl-1H-quinazolin-3-ium-4-one perchlorate CAS Name: 2-methyl-1H-quinazolin-3-ium-4-one perchlorate IUPAC Name: 2-methyl-1H-quinazolin-3-ium-4-one perchlorate Traditional Name: 2-methyl-1H-quinazolin-3-ium-4-one perchlorate Formula: C9H9ClN2O5 MolecularWeight: 260.63116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=O)C2=CC=CC=C2N1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[NH+]C(=O)C2=CC=CC=C2N1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H8N2O.ClHO4/c1-6-10-8-5-3-2-4-7(8)9(12)11-6;2-1(3,4)5/h2-5H,1H3,(H,10,11,12);(H,2,3,4,5)