(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate CAS Name: 4-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-pyridin-1-iumcarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-2-carboxylate Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]pyridin-1-ium-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=[NH+]C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-12-9-20(10-13(2)24-12)14-6-7-19-15(8-14)17(22)23-11-16(21)18(3,4)5/h6-8,12-13H,9-11H2,1-5H3/p+1/t12-,13-/m0/s1