2-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzimidazolyl)-1-piperidin-1-iumyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H24FN4O2+ MolecularWeight: 383.439263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)N3C=NC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H23FN4O2/c1-28-18-4-2-3-16(12-18)24-21(27)13-25-9-7-17(8-10-25)26-14-23-19-11-15(22)5-6-20(19)26/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,24,27)/p+1