(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N,N-dimethyl-1-(4-quinolinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N,N-dimethyl-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[NH+]1CC2=CC=NC3=CC=CC=C23)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=NC3=CC=CC=C23)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5OS/c1-28(2)23(30)22-13-17(31-24-26-20-9-5-6-10-21(20)27-24)15-29(22)14-16-11-12-25-19-8-4-3-7-18(16)19/h3-12,17,22H,13-15H2,1-2H3,(H,26,27)/p+1/t17-,22+/m1/s1