(4-methoxycarbonylphenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate CAS Name: 4-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-pyridin-1-iumcarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]pyridin-1-ium-2-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=[NH+]C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C2=CC(=[NH+]C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-14-11-23(12-15(2)28-14)18-8-9-22-19(10-18)21(25)27-13-16-4-6-17(7-5-16)20(24)26-3/h4-10,14-15H,11-13H2,1-3H3/p+1/t14-,15-/m1/s1