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

Systemtic Name: 4-(4-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-butanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-oxo-4-(p-tolyl)butanamide CAS Name: 4-(4-methylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-oxobutanamide IUPAC Name: 4-(4-methylphenyl)-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-tolyl)butyramide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16-2-5-18(6-3-16)19(25)7-9-21(26)23-15-17-4-8-20(22-14-17)24-10-12-27-13-11-24/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,26)/p+1