(4-cyanophenyl) 6-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-cyanophenyl) 6-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: (4-cyanophenyl) 6-morpholinopyridin-1-ium-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 6-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 6-morpholinopyridin-1-ium-3-carboxylic acid (4-cyanophenyl) ester Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N3O3/c18-11-13-1-4-15(5-2-13)23-17(21)14-3-6-16(19-12-14)20-7-9-22-10-8-20/h1-6,12H,7-10H2/p+1