3-butyl-10-(2-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione

Systemtic Name: 3-butyl-10-(2-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-10-(o-tolyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-10-(2-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-10-(2-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-10-(o-tolyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C22H22N3O2+ MolecularWeight: 360.42898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC3=CC=CC=C3[N+](=C2NC1=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCN1C(=O)C2=CC3=CC=CC=C3[N+](=C2NC1=O)C4=CC=CC=C4C

InChI

InChI=1S/C22H21N3O2/c1-3-4-13-24-21(26)17-14-16-10-6-8-12-19(16)25(20(17)23-22(24)27)18-11-7-5-9-15(18)2/h5-12,14H,3-4,13H2,1-2H3/p+1