N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C21H27N3O5/c1-3-28-19-13-18(24-8-10-27-11-9-24)20(29-4-2)12-17(19)22-21(26)15-23-7-5-6-16(25)14-23/h5-7,12-14H,3-4,8-11,15H2,1-2H3,(H-,22,25,26)/p+1