(4-bromanyl-2-fluoranyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-bromo-2-fluoro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-bromo-2-fluorophenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-bromo-2-fluorophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-bromo-2-fluoro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H16BrFN2O2S MolecularWeight: 351.235043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H15BrFN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-12-5-4-10(13)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3/q-1/p+1/t9-/m0/s1