[(2R)-2-(3-bromanyl-4-fluoranyl-phenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4-fluoranyl-phenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4-fluoro-phenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4-fluorophenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4-fluorophenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4-fluoro-phenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C14H23BrFN3+2 MolecularWeight: 332.254923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC(=C(C=C2)F)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H21BrFN3/c1-18-5-2-6-19(8-7-18)14(10-17)11-3-4-13(16)12(15)9-11/h3-4,9,14H,2,5-8,10,17H2,1H3/p+2/t14-/m0/s1