N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCCCC4

InChI

InChI=1S/C23H27N5O4/c1-26-21-10-5-17(15-20(21)25-22(26)11-14-27-12-3-2-4-13-27)24-23(29)16-32-19-8-6-18(7-9-19)28(30)31/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,29)/p+1