(3-bromanyl-4-fluoranyl-phenyl)methyl-bis[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-bis[(2S)-2-oxidanylpropyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-bis[(2S)-2-hydroxypropyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-bis[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-bis[(2S)-2-hydroxypropyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-bis[(2S)-2-hydroxypropyl]ammonium Formula: C13H20BrFNO2+ MolecularWeight: 321.205803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC(=C(C=C1)F)Br)CC(C)O)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC(=C(C=C1)F)Br)C[C@H](C)O)O

InChI

InChI=1S/C13H19BrFNO2/c1-9(17)6-16(7-10(2)18)8-11-3-4-13(15)12(14)5-11/h3-5,9-10,17-18H,6-8H2,1-2H3/p+1/t9-,10-/m0/s1