(4-methylphenyl)methyl 4-morpholin-4-ylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-morpholin-4-ylpyridin-1-ium-2-carboxylate Openeye Name: p-tolylmethyl 4-morpholinopyridin-1-ium-2-carboxylate CAS Name: 4-(4-morpholinyl)-2-pyridin-1-iumcarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-morpholin-4-ylpyridin-1-ium-2-carboxylate Traditional Name: 4-morpholinopyridin-1-ium-2-carboxylic acid (4-methylbenzyl) ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3

InChI

InChI=1S/C18H20N2O3/c1-14-2-4-15(5-3-14)13-23-18(21)17-12-16(6-7-19-17)20-8-10-22-11-9-20/h2-7,12H,8-11,13H2,1H3/p+1