(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(3-phenylpropyl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(3-phenylpropyl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(3-phenylpropyl)-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(3-phenylpropyl)-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CCCC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](C[NH+]1CCCC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H30N4OS/c1-17(2)25-23(29)22-15-19(30-24-26-20-12-6-7-13-21(20)27-24)16-28(22)14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19,22H,8,11,14-16H2,1-2H3,(H,25,29)(H,26,27)/p+1/t19-,22-/m0/s1