(2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidin-1-ium

Systemtic Name: (2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidin-1-ium Openeye Name: (2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidin-1-ium CAS Name: (2S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-2-(4-fluorophenyl)piperidin-1-ium IUPAC Name: (2S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidin-1-ium Traditional Name: (2S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidin-1-ium Formula: C21H31FN3O2S+ MolecularWeight: 408.553143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCCC2C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC[C@H]2C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2S/c1-3-5-14-25-19(15-23-21(25)28(26,27)4-2)16-24-13-7-6-8-20(24)17-9-11-18(22)12-10-17/h9-12,15,20H,3-8,13-14,16H2,1-2H3/p+1/t20-/m0/s1