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

Systemtic Name: (3-azanyl-4-fluoranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (3-amino-4-fluoro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (3-amino-4-fluorophenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3-amino-4-fluorophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (3-amino-4-fluoro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H18FN3O2S MolecularWeight: 287.353623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7,14H2,1H3/q-1/p+1/t9-/m0/s1