N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(2,4,6-trimethylphenoxy)ethanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O3/c1-15-10-16(2)21(17(3)11-15)27-14-20(25)23-13-18-4-5-19(22-12-18)24-6-8-26-9-7-24/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,23,25)/p+1