3-bromanyl-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzamide

Systemtic Name: 3-bromanyl-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzamide Formula: C22H26BrN4O+ MolecularWeight: 442.37204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1CC[NH+]4CCCCC4

InChI

InChI=1S/C22H25BrN4O/c1-26-20-9-8-18(24-22(28)16-6-5-7-17(23)14-16)15-19(20)25-21(26)10-13-27-11-3-2-4-12-27/h5-9,14-15H,2-4,10-13H2,1H3,(H,24,28)/p+1