(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(2-furylmethyl)-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(2-furanylmethyl)-N-(3-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(2-furfuryl)-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+](C1C(=O)NCC2=CN=CC=C2)CC3=CC=CO3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1[C@H](C[NH+]([C@@H]1C(=O)NCC2=CN=CC=C2)CC3=CC=CO3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H23N5O2S/c29-22(25-13-16-5-3-9-24-12-16)21-11-18(15-28(21)14-17-6-4-10-30-17)31-23-26-19-7-1-2-8-20(19)27-23/h1-10,12,18,21H,11,13-15H2,(H,25,29)(H,26,27)/p+1/t18-,21+/m1/s1