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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxyethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxyethyl)-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(2-methoxyethyl)-1-(4-quinolinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxyethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(2-methoxyethyl)-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2S/c1-32-13-12-27-24(31)23-14-18(33-25-28-21-8-4-5-9-22(21)29-25)16-30(23)15-17-10-11-26-20-7-3-2-6-19(17)20/h2-11,18,23H,12-16H2,1H3,(H,27,31)(H,28,29)/p+1/t18-,23+/m1/s1