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

Systemtic Name: 3-butyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 3-butyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 3-butyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 3-butyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 3-butyl-10-(3,4-dichlorophenyl)-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C21H18Cl2N3O2+ MolecularWeight: 415.29252

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O2/c1-2-3-10-25-20(27)15-11-13-6-4-5-7-18(13)26(19(15)24-21(25)28)14-8-9-16(22)17(23)12-14/h4-9,11-12H,2-3,10H2,1H3/p+1