3-butyl-8-chloranyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione

Systemtic Name: 3-butyl-8-chloranyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-8-chloro-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-8-chloro-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-8-chloro-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-8-chloro-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C21H17Cl3N3O2+ MolecularWeight: 449.73758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)[N+](=C3C=C(C=CC3=C2)Cl)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)[N+](=C3C=C(C=CC3=C2)Cl)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl3N3O2/c1-2-3-8-26-20(28)15-9-12-4-5-13(22)10-18(12)27(19(15)25-21(26)29)14-6-7-16(23)17(24)11-14/h4-7,9-11H,2-3,8H2,1H3/p+1