5-[[(3S)-3-cyclohexylpyrrolidin-1-ium-1-yl]methyl]-1-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazole

Systemtic Name: 5-[[(3S)-3-cyclohexylpyrrolidin-1-ium-1-yl]methyl]-1-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazole Openeye Name: 5-[[(3S)-3-cyclohexylpyrrolidin-1-ium-1-yl]methyl]-1-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazole CAS Name: 5-[[(3S)-3-cyclohexyl-1-pyrrolidin-1-iumyl]methyl]-1-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazole IUPAC Name: 5-[[(3S)-3-cyclohexylpyrrolidin-1-ium-1-yl]methyl]-1-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazole Traditional Name: 5-[[(3S)-3-cyclohexylpyrrolidin-1-ium-1-yl]methyl]-1-(2-fluorobenzyl)-2-mesyl-imidazole Formula: C22H31FN3O2S+ MolecularWeight: 420.563843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CCC(C3)C4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CC[C@H](C3)C4CCCCC4

InChI

InChI=1S/C22H30FN3O2S/c1-29(27,28)22-24-13-20(26(22)15-19-9-5-6-10-21(19)23)16-25-12-11-18(14-25)17-7-3-2-4-8-17/h5-6,9-10,13,17-18H,2-4,7-8,11-12,14-16H2,1H3/p+1/t18-/m1/s1