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

Systemtic Name: (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium Openeye Name: (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium CAS Name: (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-3-phenylpiperidin-1-ium IUPAC Name: (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidin-1-ium Traditional Name: (3R)-1-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium Formula: C23H27FN3O2S+ MolecularWeight: 428.542783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CCC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26FN3O2S/c1-30(28,29)23-25-14-21(27(23)16-20-10-5-6-12-22(20)24)17-26-13-7-11-19(15-26)18-8-3-2-4-9-18/h2-6,8-10,12,14,19H,7,11,13,15-17H2,1H3/p+1/t19-/m0/s1