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

Systemtic Name: (5-azanyl-2-fluoranyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (5-amino-2-fluoro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (5-amino-2-fluorophenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (5-amino-2-fluorophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (5-amino-2-fluoro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H18FN3O2S MolecularWeight: 287.353623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN3O2S/c1-9-3-2-6-16(8-9)19(17,18)15-12-7-10(14)4-5-11(12)13/h4-5,7,9H,2-3,6,8,14H2,1H3/q-1/p+1/t9-/m0/s1