N-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide

Systemtic Name: N-[[5-[(7-chloranylquinolin-4-yl)amino]-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide Openeye Name: N-[[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl]-N-ethyl-ethanamine oxide CAS Name: N-[[5-[(7-chloro-4-quinolinyl)amino]-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide IUPAC Name: N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide Traditional Name: N-[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-benzyl]-N-ethyl-ethanamine oxide Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c1-3-24(26,4-2)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)