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

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyridyl)acetamide Formula: C21H19N4OS+ MolecularWeight: 375.46676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H18N4OS/c26-20(24-19-12-6-7-13-22-19)15-27-21-23-17-10-4-5-11-18(17)25(21)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,22,24,26)/p+1