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

Systemtic Name: N-(3-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-(3-chloro-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: N-[3-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-(3-chloro-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-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=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

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