4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-phenyl-thiazole-5-carboxamide CAS Name: 4-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-phenyl-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-phenyl-thiazole-5-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H22N4O2S/c1-15-19(28-21(24-15)17-5-3-2-4-6-17)20(26)23-14-16-7-8-18(22-13-16)25-9-11-27-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,23,26)/p+1