3-butyl-6-chloranyl-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione

Systemtic Name: 3-butyl-6-chloranyl-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-6-chloro-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-6-chloro-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-6-chloro-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-6-chloro-10-(4-fluorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C21H18ClFN3O2+ MolecularWeight: 398.837923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)[N+](=C3C=CC=C(C3=C2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)[N+](=C3C=CC=C(C3=C2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17ClFN3O2/c1-2-3-11-25-20(27)16-12-15-17(22)5-4-6-18(15)26(19(16)24-21(25)28)14-9-7-13(23)8-10-14/h4-10,12H,2-3,11H2,1H3/p+1