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

Systemtic Name: N-(2-adamantyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C20H25N3OS/c1-23-17-5-3-2-4-16(17)21-20(23)25-11-18(24)22-19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3,(H,22,24)/p+1