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

Systemtic Name: 3-butyl-10-(3-chloranyl-4-methyl-phenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-10-(3-chloro-4-methyl-phenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-10-(3-chloro-4-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-10-(3-chloro-4-methylphenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-10-(3-chloro-4-methyl-phenyl)-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=CC3=CC=CC=C3[N+](=C2NC1=O)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

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