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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-phenoxy-acetamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-2-phenoxyacetamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-2-phenoxyacetamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]-2-phenoxy-acetamide Formula: C27H31N6O2+ MolecularWeight: 471.57404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O2/c1-31-24-11-10-21(29-27(34)20-35-22-7-3-2-4-8-22)19-23(24)30-26(31)12-14-32-15-17-33(18-16-32)25-9-5-6-13-28-25/h2-11,13,19H,12,14-18,20H2,1H3,(H,29,34)/p+1