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

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

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

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