3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one perchlorate

Systemtic Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one perchlorate Openeye Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one perchlorate CAS Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-4-quinazolin-1-iumone perchlorate IUPAC Name: 3-(3-bromophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one perchlorate Traditional Name: 3-(3-bromophenyl)-1-ethyl-2-methyl-quinazolin-1-ium-4-one perchlorate Formula: C17H16BrClN2O5 MolecularWeight: 443.67634

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)Br)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN2O.ClHO4/c1-3-19-12(2)20(14-8-6-7-13(18)11-14)17(21)15-9-4-5-10-16(15)19;2-1(3,4)5/h4-11H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1