2-ethyl-5-(4-fluorophenyl)-1-methyl-1-(4-methylphenyl)sulfonyl-4-pyrrolidin-2-yl-imidazol-1-ium

Systemtic Name: 2-ethyl-5-(4-fluorophenyl)-1-methyl-1-(4-methylphenyl)sulfonyl-4-pyrrolidin-2-yl-imidazol-1-ium Openeye Name: 2-ethyl-5-(4-fluorophenyl)-1-methyl-1-(p-tolylsulfonyl)-4-pyrrolidin-2-yl-imidazol-1-ium CAS Name: 2-ethyl-5-(4-fluorophenyl)-1-methyl-1-(4-methylphenyl)sulfonyl-4-(2-pyrrolidinyl)imidazol-1-ium IUPAC Name: 2-ethyl-5-(4-fluorophenyl)-1-methyl-1-(4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylimidazol-1-ium Traditional Name: 2-ethyl-5-(4-fluorophenyl)-1-methyl-4-pyrrolidin-2-yl-1-tosyl-imidazol-1-ium Formula: C23H27FN3O2S+ MolecularWeight: 428.542783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C([N+]1(C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)C4CCCN4

Isomeric SMILES

CCC1=NC(=C([N+]1(C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)C4CCCN4

InChI

InChI=1S/C23H27FN3O2S/c1-4-21-26-22(20-6-5-15-25-20)23(17-9-11-18(24)12-10-17)27(21,3)30(28,29)19-13-7-16(2)8-14-19/h7-14,20,25H,4-6,15H2,1-3H3/q+1