(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-indan-2-yl-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(2,3-dihydro-1H-inden-2-yl)-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-indan-2-yl-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1C2CC3=CC=CC=C3C2)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H28N4OS/c1-15(2)25-23(29)22-13-19(30-24-26-20-9-5-6-10-21(20)27-24)14-28(22)18-11-16-7-3-4-8-17(16)12-18/h3-10,15,18-19,22H,11-14H2,1-2H3,(H,25,29)(H,26,27)/p+1/t19-,22+/m1/s1