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

Systemtic Name: (3S)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C18H25FN3O3S+ MolecularWeight: 382.472803

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C18H24FN3O3S/c1-25-16-7-5-9-21(13-16)12-15-10-20-18(26(2,23)24)22(15)11-14-6-3-4-8-17(14)19/h3-4,6,8,10,16H,5,7,9,11-13H2,1-2H3/p+1/t16-/m0/s1