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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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