2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C21H24N4OS/c1-24-19-8-4-3-7-18(19)23-21(24)27-15-20(26)22-16-9-11-17(12-10-16)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)/p+1