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

Systemtic Name: N-[[(2S)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2S)-5-(2-acetylphenyl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C28H35N2O4+ MolecularWeight: 463.5885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)C4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C28H34N2O4/c1-20(31)24-7-3-4-8-25(24)21-9-10-26-22(17-21)18-23(34-26)19-29-27(32)28(11-5-2-6-12-28)30-13-15-33-16-14-30/h3-4,7-10,17,23H,2,5-6,11-16,18-19H2,1H3,(H,29,32)/p+1/t23-/m0/s1