(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloro-3-phenyl-allyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-N-cyclopropyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-N-cyclopropylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(Z)-2-chloro-3-phenyl-allyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H26ClN4OS+ MolecularWeight: 454.00744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2CC(=CC3=CC=CC=C3)Cl)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@H](C[NH+]2C/C(=C/C3=CC=CC=C3)/Cl)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H25ClN4OS/c25-17(12-16-6-2-1-3-7-16)14-29-15-19(13-22(29)23(30)26-18-10-11-18)31-24-27-20-8-4-5-9-21(20)28-24/h1-9,12,18-19,22H,10-11,13-15H2,(H,26,30)(H,27,28)/p+1/b17-12-/t19-,22+/m1/s1