6-[4-(4-bromophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-cyclopropyl-methyl-azanium

Systemtic Name: 6-[4-(4-bromophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-cyclopropyl-methyl-azanium Openeye Name: 6-[4-(4-bromobenzoyl)-3-fluoro-phenoxy]hexyl-cyclopropyl-methyl-ammonium CAS Name: 6-[4-[(4-bromophenyl)-oxomethyl]-3-fluorophenoxy]hexyl-cyclopropyl-methylammonium IUPAC Name: 6-[4-(4-bromobenzoyl)-3-fluorophenoxy]hexyl-cyclopropyl-methylazanium Traditional Name: 6-[4-(4-bromobenzoyl)-3-fluoro-phenoxy]hexyl-cyclopropyl-methyl-ammonium Formula: C23H28BrFNO2+ MolecularWeight: 449.376323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)C3CC3

Isomeric SMILES

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)C3CC3

InChI

InChI=1S/C23H27BrFNO2/c1-26(19-10-11-19)14-4-2-3-5-15-28-20-12-13-21(22(25)16-20)23(27)17-6-8-18(24)9-7-17/h6-9,12-13,16,19H,2-5,10-11,14-15H2,1H3/p+1