N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide

Systemtic Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[[(2R)-chroman-2-yl]methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-[[(2R)-chroman-2-yl]methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C25H29N6O3+ MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1CNC(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC2=CC=CC=C2O[C@H]1CNC(=O)COC3=NN=C(C=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H28N6O3/c32-24(27-17-20-9-8-19-5-1-2-6-21(19)34-20)18-33-25-11-10-23(28-29-25)31-15-13-30(14-16-31)22-7-3-4-12-26-22/h1-7,10-12,20H,8-9,13-18H2,(H,27,32)/p+1/t20-/m1/s1