2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4OS/c31-25(27-21-12-14-22(15-13-21)29-16-6-7-17-29)19-32-26-28-23-10-4-5-11-24(23)30(26)18-20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-19H2,(H,27,31)/p+1