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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C27H30N7O4+ MolecularWeight: 516.5716

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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=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H29N7O4/c1-31-24-10-5-20(29-27(35)19-38-22-8-6-21(7-9-22)34(36)37)18-23(24)30-26(31)11-13-32-14-16-33(17-15-32)25-4-2-3-12-28-25/h2-10,12,18H,11,13-17,19H2,1H3,(H,29,35)/p+1