N-[(4-phenyloxan-4-yl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide

Systemtic Name: N-[(4-phenyloxan-4-yl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[(4-phenyl-4-oxanyl)methyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[(4-phenyloxan-4-yl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1(CNC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O3/c34-25(29-21-27(11-18-35-19-12-27)22-6-2-1-3-7-22)20-36-26-10-9-24(30-31-26)33-16-14-32(15-17-33)23-8-4-5-13-28-23/h1-10,13H,11-12,14-21H2,(H,29,34)/p+1