5-[[(3R)-3-(2-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazole

Systemtic Name: 5-[[(3R)-3-(2-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazole Openeye Name: 5-[[(3R)-3-(2-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-isopentyl-2-isopropylsulfonyl-imidazole CAS Name: 5-[[(3R)-3-(2-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-1-(3-methylbutyl)-2-propan-2-ylsulfonylimidazole IUPAC Name: 5-[[(3R)-3-(2-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methylbutyl)-2-propan-2-ylsulfonylimidazole Traditional Name: 5-[[(3R)-3-(2-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-isoamyl-2-isopropylsulfonyl-imidazole Formula: C22H33FN3O2S+ MolecularWeight: 422.579723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC(C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CC[C@@H](C2)C3=CC=CC=C3F

InChI

InChI=1S/C22H32FN3O2S/c1-16(2)9-12-26-19(13-24-22(26)29(27,28)17(3)4)15-25-11-10-18(14-25)20-7-5-6-8-21(20)23/h5-8,13,16-18H,9-12,14-15H2,1-4H3/p+1/t18-/m0/s1