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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-phenyl-isoxazole-3-carboxamide Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3/c25-20(17-12-18(27-23-17)16-4-2-1-3-5-16)22-14-15-6-7-19(21-13-15)24-8-10-26-11-9-24/h1-7,12-13H,8-11,14H2,(H,22,25)/p+1