2-[[8-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[8-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[8-(5-chloro-2-hydroxy-benzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[8-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[8-(5-chloro-2-hydroxybenzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[8-(5-chloro-2-hydroxy-benzoyl)-11-keto-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]amino]ethyl-dimethyl-ammonium Formula: C23H23ClN4O3+2 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C2NC3=CC=CC=C3C(=O)[N+]2=CC(=C1)C(=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C[NH+](C)CCNC1=C2NC3=CC=CC=C3C(=O)[N+]2=CC(=C1)C(=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C23H21ClN4O3/c1-27(2)10-9-25-19-11-14(21(30)17-12-15(24)7-8-20(17)29)13-28-22(19)26-18-6-4-3-5-16(18)23(28)31/h3-8,11-13,25H,9-10H2,1-2H3,(H,29,30)/p+2