(3-fluoranyl-4-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: (3-fluoro-4-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (3-fluoro-4-methylphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3-fluoro-4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: (3-fluoro-4-methyl-phenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C12H17FN2O2S MolecularWeight: 272.338983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2CCC[NH2+]C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)[C@H]2CCC[NH2+]C2)F

InChI

InChI=1S/C12H16FN2O2S/c1-9-4-5-10(7-12(9)13)15-18(16,17)11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3/q-1/p+1/t11-/m0/s1