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

Systemtic Name: N-[(4-morpholin-4-ylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[(4-morpholinophenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-(4-morpholinobenzyl)-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C26H32N7O3+ MolecularWeight: 490.57738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H31N7O3/c34-25(28-19-21-4-6-22(7-5-21)31-15-17-35-18-16-31)20-36-26-9-8-24(29-30-26)33-13-11-32(12-14-33)23-3-1-2-10-27-23/h1-10H,11-20H2,(H,28,34)/p+1