4-(4-ethoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-ethoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-ethoxyphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-oxo-butanamide CAS Name: 4-(4-ethoxyphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-oxobutanamide IUPAC Name: 4-(4-ethoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxobutanamide Traditional Name: 4-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-p-phenetyl-butyramide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H27N3O4/c1-2-29-19-6-4-18(5-7-19)20(26)8-10-22(27)24-16-17-3-9-21(23-15-17)25-11-13-28-14-12-25/h3-7,9,15H,2,8,10-14,16H2,1H3,(H,24,27)/p+1