N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-pyrrolidino-phenyl)acetamide Formula: C26H26ClN4OS+ MolecularWeight: 478.02884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4OS/c27-20-12-13-23(30-14-6-7-15-30)22(16-20)28-25(32)18-33-26-29-21-10-4-5-11-24(21)31(26)17-19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17-18H2,(H,28,32)/p+1