2-[4-fluoranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethylazanium

Systemtic Name: 2-[4-fluoranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethylazanium Openeye Name: 2-[4-fluoro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]ethylammonium CAS Name: 2-[4-fluoro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]ethylammonium IUPAC Name: 2-[4-fluoro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]ethylazanium Traditional Name: 2-[4-fluoro-3-[(3S)-3-methylpiperidino]sulfonyl-phenyl]ethylammonium Formula: C14H22FN2O2S+ MolecularWeight: 301.400083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

InChI

InChI=1S/C14H21FN2O2S/c1-11-3-2-8-17(10-11)20(18,19)14-9-12(6-7-16)4-5-13(14)15/h4-5,9,11H,2-3,6-8,10,16H2,1H3/p+1/t11-/m0/s1