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

Systemtic Name: (2R)-1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-methyl-piperidin-1-ium Openeye Name: (2R)-1-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]-2-methyl-piperidin-1-ium CAS Name: (2R)-1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-methylpiperidin-1-ium IUPAC Name: (2R)-1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-methylpiperidin-1-ium Traditional Name: (2R)-1-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]-2-methyl-piperidin-1-ium Formula: C20H29FN3O2S+ MolecularWeight: 394.526563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O2S/c1-15(2)27(25,26)20-22-12-18(14-23-11-7-6-8-16(23)3)24(20)13-17-9-4-5-10-19(17)21/h4-5,9-10,12,15-16H,6-8,11,13-14H2,1-3H3/p+1/t16-/m1/s1