3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C#N

InChI

InChI=1S/C21H25N5O3/c1-14-17(15(2)25-21(28)18(14)11-22)4-6-20(27)24-13-16-3-5-19(23-12-16)26-7-9-29-10-8-26/h3,5,12H,4,6-10,13H2,1-2H3,(H,24,27)(H,25,28)/p+1