(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-[(E)-2-methyl-3-phenyl-allyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-[(E)-2-methyl-3-phenyl-allyl]pyrrolidin-1-ium-2-carboxamide Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC(=CC2=CC=CC=C2)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-17(2)26-24(30)23-14-20(31-25-27-21-11-7-8-12-22(21)28-25)16-29(23)15-18(3)13-19-9-5-4-6-10-19/h4-13,17,20,23H,14-16H2,1-3H3,(H,26,30)(H,27,28)/p+1/b18-13+/t20-,23+/m1/s1