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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(2-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C28H28N5OS2+ MolecularWeight: 514.68482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C(=O)C3CC(C[NH+]3CC4=CC=CC=N4)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C(=O)[C@@H]3C[C@H](C[NH+]3CC4=CC=CC=N4)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H27N5OS2/c1-32(17-21-14-19-8-2-5-12-26(19)35-21)27(34)25-15-22(18-33(25)16-20-9-6-7-13-29-20)36-28-30-23-10-3-4-11-24(23)31-28/h2-14,22,25H,15-18H2,1H3,(H,30,31)/p+1/t22-,25+/m1/s1