N-[[(2R)-7-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[(2R)-7-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2R)-7-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2R)-7-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2R)-7-(5-methyl-2-pyridyl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC1=CN=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C26H33N3O3/c1-19-8-9-23(27-17-19)22-7-5-6-20-16-21(32-24(20)22)18-28-25(30)26(10-3-2-4-11-26)29-12-14-31-15-13-29/h5-9,17,21H,2-4,10-16,18H2,1H3,(H,28,30)/p+1/t21-/m1/s1