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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-16(2)18-4-6-19(7-5-18)27-15-21(25)23-14-17-3-8-20(22-13-17)24-9-11-26-12-10-24/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,25)/p+1