(4-bromanyl-2-fluoranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-bromo-2-fluoro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-bromo-2-fluorophenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-bromo-2-fluorophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-bromo-2-fluoro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H16BrFN2O2S MolecularWeight: 351.235043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H15BrFN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3/q-1/p+1/t9-/m0/s1