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

Systemtic Name: N-(5-chloranyl-2-piperidin-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-(1-piperidyl)phenyl]acetamide CAS Name: N-[5-chloro-2-(1-piperidinyl)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-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-piperidino-phenyl)acetamide Formula: C27H28ClN4OS+ MolecularWeight: 492.05542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4OS/c28-21-13-14-24(31-15-7-2-8-16-31)23(17-21)29-26(33)19-34-27-30-22-11-5-6-12-25(22)32(27)18-20-9-3-1-4-10-20/h1,3-6,9-14,17H,2,7-8,15-16,18-19H2,(H,29,33)/p+1