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

Systemtic Name: 2-(4-chlorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiazole-4-carboxamide Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4O2S/c21-16-4-2-15(3-5-16)20-24-17(13-28-20)19(26)23-12-14-1-6-18(22-11-14)25-7-9-27-10-8-25/h1-6,11,13H,7-10,12H2,(H,23,26)/p+1