(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-fluorophenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-fluorophenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-fluorophenyl)methyl]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(2-fluorophenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-fluorophenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(2-fluorobenzyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H26FN4OS+ MolecularWeight: 413.531443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC=CC=C2F)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=CC=C2F)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25FN4OS/c1-14(2)24-21(28)20-11-16(13-27(20)12-15-7-3-4-8-17(15)23)29-22-25-18-9-5-6-10-19(18)26-22/h3-10,14,16,20H,11-13H2,1-2H3,(H,24,28)(H,25,26)/p+1/t16-,20-/m0/s1