N-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidin-1-ium-4-amine

Systemtic Name: N-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidin-1-ium-4-amine Openeye Name: N-(2-fluoro-4-methylsulfonyl-phenyl)piperidin-1-ium-4-amine CAS Name: N-(2-fluoro-4-methylsulfonylphenyl)-4-piperidin-1-iumamine IUPAC Name: N-(2-fluoro-4-methylsulfonylphenyl)piperidin-1-ium-4-amine Traditional Name: (2-fluoro-4-mesyl-phenyl)-piperidin-1-ium-4-yl-amine Formula: C12H18FN2O2S+ MolecularWeight: 273.346923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH2+]CC2)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH2+]CC2)F

InChI

InChI=1S/C12H17FN2O2S/c1-18(16,17)10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3/p+1