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

Systemtic Name: 1-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-(3-methylphenyl)quinazolin-1-ium-4-one Openeye Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(m-tolyl)quinazolin-1-ium-4-one CAS Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(3-methylphenyl)-4-quinazolin-1-iumone IUPAC Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(3-methylphenyl)quinazolin-1-ium-4-one Traditional Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(m-tolyl)quinazolin-1-ium-4-one Formula: C20H20ClN2O+ MolecularWeight: 339.8386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=[N+](C3=CC=CC=C3C2=O)CC=C(C)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=[N+](C3=CC=CC=C3C2=O)C/C=C(\C)/Cl)C

InChI

InChI=1S/C20H20ClN2O/c1-14-7-6-8-17(13-14)23-16(3)22(12-11-15(2)21)19-10-5-4-9-18(19)20(23)24/h4-11,13H,12H2,1-3H3/q+1/b15-11+