2-ethylsulfonyl-5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(phenylmethyl)imidazole

Systemtic Name: 2-ethylsulfonyl-5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-2-ethylsulfonyl-5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]imidazole CAS Name: 2-ethylsulfonyl-5-[[(3R)-3-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-2-ethylsulfonyl-5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]imidazole Traditional Name: 1-benzyl-2-esyl-5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]imidazole Formula: C23H27FN3O2S+ MolecularWeight: 428.542783

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CC[C@@H](C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2S/c1-2-30(28,29)23-25-14-22(27(23)15-18-6-4-3-5-7-18)17-26-13-12-20(16-26)19-8-10-21(24)11-9-19/h3-11,14,20H,2,12-13,15-17H2,1H3/p+1/t20-/m0/s1