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

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-chlorophenyl)methyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-chlorophenyl)methyl]-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(2-chlorophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(2-chlorobenzyl)-N-cyclopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H24ClN4OS+ MolecularWeight: 427.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2CC3=CC=CC=C3Cl)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@@H](C[NH+]2CC3=CC=CC=C3Cl)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H23ClN4OS/c23-17-6-2-1-5-14(17)12-27-13-16(11-20(27)21(28)24-15-9-10-15)29-22-25-18-7-3-4-8-19(18)26-22/h1-8,15-16,20H,9-13H2,(H,24,28)(H,25,26)/p+1/t16-,20-/m0/s1