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

Systemtic Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C22H26N5O5+ MolecularWeight: 440.47234

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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+]4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N5O5/c1-25-20-7-2-16(14-19(20)24-21(25)8-9-26-10-12-31-13-11-26)23-22(28)15-32-18-5-3-17(4-6-18)27(29)30/h2-7,14H,8-13,15H2,1H3,(H,23,28)/p+1