[4-[(5-chloranyl-2-oxidanyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[(5-chloranyl-2-oxidanyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-(5-chloro-2-hydroxy-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-(5-chloro-2-hydroxyanilino)-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-(5-chloro-2-hydroxyanilino)quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-(5-chloro-2-hydroxy-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C17H18ClN4O+ MolecularWeight: 329.80402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H17ClN4O/c1-22(2)10-16-19-13-6-4-3-5-12(13)17(21-16)20-14-9-11(18)7-8-15(14)23/h3-9,23H,10H2,1-2H3,(H,19,20,21)/p+1