(5-bromanyl-2-fluoranyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium Formula: C16H16BrFNO2+ MolecularWeight: 353.206143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H15BrFNO2/c17-12-5-6-14(18)11(7-12)8-19-9-13-10-20-15-3-1-2-4-16(15)21-13/h1-7,13,19H,8-10H2/p+1/t13-/m0/s1