N-[(3S)-5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(3S)-5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(3S)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(3S)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(3S)-5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(3S)-5-methoxy-3-methyl-coumaran-6-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C16H23N2O4+ MolecularWeight: 307.36482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=CC(=C(C=C12)OC)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

C[C@@H]1COC2=CC(=C(C=C12)OC)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H22N2O4/c1-11-10-22-14-8-13(15(20-2)7-12(11)14)17-16(19)9-18-3-5-21-6-4-18/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,19)/p+1/t11-/m1/s1