2-[[3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C21H25Cl2N4O3+ MolecularWeight: 452.3542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C21H24Cl2N4O3/c1-3-26(4-2)12-11-24-19(28)21(30)15-7-5-6-8-18(15)25-20(29)27(21)14-9-10-16(22)17(23)13-14/h5-10,13,30H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,29)/p+1