[5-[(7-chloranylquinolin-1-ium-4-yl)amino]-2-oxidanyl-phenyl]methyl-diethyl-azanium dichloride dihydrate

Systemtic Name: [5-[(7-chloranylquinolin-1-ium-4-yl)amino]-2-oxidanyl-phenyl]methyl-diethyl-azanium dichloride dihydrate Openeye Name: [5-[(7-chloroquinolin-1-ium-4-yl)amino]-2-hydroxy-phenyl]methyl-diethyl-ammonium dichloride dihydrate CAS Name: [5-[(7-chloro-4-quinolin-1-iumyl)amino]-2-hydroxyphenyl]methyl-diethylammonium dichloride dihydrate IUPAC Name: [5-[(7-chloroquinolin-1-ium-4-yl)amino]-2-hydroxyphenyl]methyl-diethylazanium dichloride dihydrate Traditional Name: [5-[(7-chloroquinolin-1-ium-4-yl)amino]-2-hydroxy-benzyl]-diethyl-ammonium dichloride dihydrate Formula: C20H28Cl3N3O3 MolecularWeight: 464.81362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2