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

Systemtic Name: 3-butyl-6-chloranyl-10-(4-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-6-chloro-10-(p-tolyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-6-chloro-10-(4-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-6-chloro-10-(4-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-6-chloro-10-(p-tolyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C22H21ClN3O2+ MolecularWeight: 394.87404

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O2/c1-3-4-12-25-21(27)17-13-16-18(23)6-5-7-19(16)26(20(17)24-22(25)28)15-10-8-14(2)9-11-15/h5-11,13H,3-4,12H2,1-2H3/p+1