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

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H29N6O4+ MolecularWeight: 453.51416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4/c1-26-11-13-28(14-12-26)10-9-22-25-20-15-17(3-8-21(20)27(22)2)24-23(30)16-33-19-6-4-18(5-7-19)29(31)32/h3-8,15H,9-14,16H2,1-2H3,(H,24,30)/p+1