5-(3-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]isoxazole-3-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]isoxazole-3-carboxamide Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H19ClN4O3/c21-16-5-1-3-14(11-16)18-12-17(24-28-18)20(26)23-13-15-4-2-6-22-19(15)25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H,23,26)/p+1