(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-methyl-1-[(4-phenylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-1-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-methyl-1-(4-phenylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(C[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N4OS/c1-27-25(31)24-15-21(32-26-28-22-9-5-6-10-23(22)29-26)17-30(24)16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,21,24H,15-17H2,1H3,(H,27,31)(H,28,29)/p+1/t21-,24-/m0/s1