(4-cyanophenyl)methyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid (4-cyanobenzyl) ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3O3/c19-12-14-3-5-15(6-4-14)13-24-18(22)16-2-1-7-20-17(16)21-8-10-23-11-9-21/h1-7H,8-11,13H2/p+1