(3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-[(3-fluorophenyl)methyl]-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(3-fluorobenzyl)piperidin-1-ium-3-sulfonamide Formula: C12H18FN2O2S+ MolecularWeight: 273.346923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)NCC2=CC(=CC=C2)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C12H17FN2O2S/c13-11-4-1-3-10(7-11)8-15-18(16,17)12-5-2-6-14-9-12/h1,3-4,7,12,14-15H,2,5-6,8-9H2/p+1/t12-/m0/s1