1-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate

Systemtic Name: 1-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate Openeye Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate CAS Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-phenyl-4-quinazolin-1-iumone perchlorate IUPAC Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-phenylquinazolin-1-ium-4-one perchlorate Traditional Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-phenyl-quinazolin-1-ium-4-one perchlorate Formula: C19H18Cl2N2O5 MolecularWeight: 425.26262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)CC=C(C)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C/C=C(\C)/Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H18ClN2O.ClHO4/c1-14(20)12-13-21-15(2)22(16-8-4-3-5-9-16)19(23)17-10-6-7-11-18(17)21;2-1(3,4)5/h3-12H,13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b14-12+;