2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-14-10-19-20(11-15(14)2)26-23(25-19)16-6-8-27(9-7-16)13-22(29)24-18-5-4-17(32-3)12-21(18)28(30)31/h4-5,10-12,16H,6-9,13H2,1-3H3,(H,24,29)(H,25,26)/p+1