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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

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