4-[[(4-chlorophenyl)-(5-fluoranyl-2-oxidanyl-phenyl)methylidene]-methyl-azaniumyl]butanoyl-trimethyl-azanium

Systemtic Name: 4-[[(4-chlorophenyl)-(5-fluoranyl-2-oxidanyl-phenyl)methylidene]-methyl-azaniumyl]butanoyl-trimethyl-azanium Openeye Name: 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxy-phenyl)methylene]-methyl-ammonio]butanoyl-trimethyl-ammonium CAS Name: [4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]-methylammonio]-1-oxobutyl]-trimethylammonium IUPAC Name: 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]-methylazaniumyl]butanoyl-trimethylazanium Traditional Name: 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxy-phenyl)methylene]-methyl-ammonio]butanoyl-trimethyl-ammonium Formula: C21H26ClFN2O2+2 MolecularWeight: 392.894743

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O)CCCC(=O)[N+](C)(C)C

Isomeric SMILES

C[N+](=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O)CCCC(=O)[N+](C)(C)C

InChI

InChI=1S/C21H25ClFN2O2/c1-24(13-5-6-20(27)25(2,3)4)21(15-7-9-16(22)10-8-15)18-14-17(23)11-12-19(18)26/h7-12,14H,5-6,13H2,1-4H3/q+1/p+1