5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonyl-imidazole

Systemtic Name: 5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonyl-imidazole Openeye Name: 5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-isobutyl-2-methylsulfonyl-imidazole CAS Name: 5-[[(2S)-2-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole IUPAC Name: 5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole Traditional Name: 5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-isobutyl-2-mesyl-imidazole Formula: C19H27FN3O2S+ MolecularWeight: 380.499983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC2C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@H]2C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN3O2S/c1-14(2)12-23-17(11-21-19(23)26(3,24)25)13-22-10-4-5-18(22)15-6-8-16(20)9-7-15/h6-9,11,14,18H,4-5,10,12-13H2,1-3H3/p+1/t18-/m0/s1