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

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloro-3-phenyl-allyl]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(Z)-2-chloro-3-phenyl-allyl]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H28ClN4OS+ MolecularWeight: 456.02332

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H27ClN4OS/c1-16(2)26-23(30)22-13-19(31-24-27-20-10-6-7-11-21(20)28-24)15-29(22)14-18(25)12-17-8-4-3-5-9-17/h3-12,16,19,22H,13-15H2,1-2H3,(H,26,30)(H,27,28)/p+1/b18-12-/t19-,22-/m0/s1