(5-bromanyl-2-fluoranyl-phenyl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H20BrFNOS+ MolecularWeight: 373.303503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=C(C=CC(=C2)Br)F)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=C(C=CC(=C2)Br)F)C[C@H](C)O

InChI

InChI=1S/C16H19BrFNOS/c1-11-5-6-21-16(11)10-19(8-12(2)20)9-13-7-14(17)3-4-15(13)18/h3-7,12,20H,8-10H2,1-2H3/p+1/t12-/m0/s1