N-[[5-[(7-chloranyl-1-oxidanidyl-quinolin-1-ium-4-yl)-methyl-amino]-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide

Systemtic Name: N-[[5-[(7-chloranyl-1-oxidanidyl-quinolin-1-ium-4-yl)-methyl-amino]-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide Openeye Name: N-[[5-[(7-chloro-1-oxido-quinolin-1-ium-4-yl)-methyl-amino]-2-hydroxy-phenyl]methyl]-N-ethyl-ethanamine oxide CAS Name: N-[[5-[(7-chloro-1-oxido-4-quinolin-1-iumyl)-methylamino]-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide IUPAC Name: N-[[5-[(7-chloro-1-oxidoquinolin-1-ium-4-yl)-methylamino]-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide Traditional Name: N-[5-[(7-chloro-1-oxido-quinolin-1-ium-4-yl)-methyl-amino]-2-hydroxy-benzyl]-N-ethyl-ethanamine oxide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-4-25(28,5-2)14-15-12-17(7-9-21(15)26)23(3)19-10-11-24(27)20-13-16(22)6-8-18(19)20/h6-13,26H,4-5,14H2,1-3H3