1-ethyl-2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[(2S)-2-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C22H28FN4O2S+ MolecularWeight: 431.546723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCCC3C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC[C@H]3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN4O2S/c1-4-27-21-12-11-18(30(28,29)25(2)3)14-19(21)24-22(27)15-26-13-5-6-20(26)16-7-9-17(23)10-8-16/h7-12,14,20H,4-6,13,15H2,1-3H3/p+1/t20-/m0/s1