N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C26H28N7O3+ MolecularWeight: 486.54562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N7O3/c1-30-23-9-8-20(28-26(34)19-5-4-6-21(17-19)33(35)36)18-22(23)29-25(30)10-12-31-13-15-32(16-14-31)24-7-2-3-11-27-24/h2-9,11,17-18H,10,12-16H2,1H3,(H,28,34)/p+1