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

Systemtic Name: N-(2-adamantyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C26H30N3OS+ MolecularWeight: 432.6009

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](C5=CC=CC=C5N4)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](C5=CC=CC=C5N4)CC6=CC=CC=C6

InChI

InChI=1S/C26H29N3OS/c30-24(28-25-20-11-18-10-19(13-20)14-21(25)12-18)16-31-26-27-22-8-4-5-9-23(22)29(26)15-17-6-2-1-3-7-17/h1-9,18-21,25H,10-16H2,(H,28,30)/p+1