[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-diethyl-methyl-azanium chloride

Systemtic Name: [5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl-diethyl-methyl-azanium chloride Openeye Name: [5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl-diethyl-methyl-ammonium chloride CAS Name: [5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl-diethyl-methylammonium chloride IUPAC Name: [5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-diethyl-methylazanium chloride Traditional Name: [5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]-diethyl-methyl-ammonium chloride Formula: C21H25Cl2N3O MolecularWeight: 406.3487

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.[Cl-]

Isomeric SMILES

CC[N+](C)(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.[Cl-]

InChI

InChI=1S/C21H24ClN3O.ClH/c1-4-25(3,5-2)14-15-12-17(7-9-21(15)26)24-19-10-11-23-20-13-16(22)6-8-18(19)20;/h6-13H,4-5,14H2,1-3H3,(H-,23,24,26);1H