1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanone

Systemtic Name: 1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanone Openeye Name: 1-[(2S)-2-(2-imidazol-1-ylethyl)-1-piperidyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanone CAS Name: 1-[(2S)-2-[2-(1-imidazolyl)ethyl]-1-piperidinyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]ethanone IUPAC Name: 1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyethanone Traditional Name: 1-[(2S)-2-(2-imidazol-1-ylethyl)piperidino]-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-ethanone Formula: C25H33N8O2+ MolecularWeight: 477.58192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2C=CN=C2)C(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCN([C@@H](C1)CCN2C=CN=C2)C(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H32N8O2/c34-25(33-12-4-2-5-21(33)9-13-30-14-11-26-20-30)19-35-24-8-7-23(28-29-24)32-17-15-31(16-18-32)22-6-1-3-10-27-22/h1,3,6-8,10-11,14,20-21H,2,4-5,9,12-13,15-19H2/p+1/t21-/m0/s1