1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate

Systemtic Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate Openeye Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate CAS Name: 1-ethyl-2-methyl-3-phenyl-4-quinazolin-1-iumone perchlorate IUPAC Name: 1-ethyl-2-methyl-3-phenylquinazolin-1-ium-4-one perchlorate Traditional Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate Formula: C17H17ClN2O5 MolecularWeight: 364.78028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H17N2O.ClHO4/c1-3-18-13(2)19(14-9-5-4-6-10-14)17(20)15-11-7-8-12-16(15)18;2-1(3,4)5/h4-12H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1