N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C27H35N7O2+2 MolecularWeight: 489.6125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H33N7O2/c35-26(29-23-9-6-14-32(20-23)19-22-7-2-1-3-8-22)21-36-27-12-11-25(30-31-27)34-17-15-33(16-18-34)24-10-4-5-13-28-24/h1-5,7-8,10-13,23H,6,9,14-21H2,(H,29,35)/p+2/t23-/m0/s1