N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2R)-7-(6-methoxy-3-pyridazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

COC1=NN=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C25H32N4O4/c1-31-22-9-8-21(27-28-22)20-7-5-6-18-16-19(33-23(18)20)17-26-24(30)25(10-3-2-4-11-25)29-12-14-32-15-13-29/h5-9,19H,2-4,10-17H2,1H3,(H,26,30)/p+1/t19-/m1/s1