diethyl (2S,3R,5R,6S)-4-oxidanylidene-2,6-dipyridin-3-yl-piperidin-1-ium-3,5-dicarboxylate

Systemtic Name: diethyl (2S,3R,5R,6S)-4-oxidanylidene-2,6-dipyridin-3-yl-piperidin-1-ium-3,5-dicarboxylate Openeye Name: diethyl (2S,3R,5R,6S)-4-oxo-2,6-bis(3-pyridyl)piperidin-1-ium-3,5-dicarboxylate CAS Name: (2S,3R,5R,6S)-4-oxo-2,6-bis(3-pyridinyl)piperidin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2S,3R,5R,6S)-4-oxo-2,6-dipyridin-3-ylpiperidin-1-ium-3,5-dicarboxylate Traditional Name: (2S,3R,5R,6S)-4-keto-2,6-bis(3-pyridyl)piperidin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C21H24N3O5+ MolecularWeight: 398.43236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C([NH2+]C(C(C1=O)C(=O)OCC)C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]([C@H](C1=O)C(=O)OCC)C2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H23N3O5/c1-3-28-20(26)15-17(13-7-5-9-22-11-13)24-18(14-8-6-10-23-12-14)16(19(15)25)21(27)29-4-2/h5-12,15-18,24H,3-4H2,1-2H3/p+1/t15-,16-,17-,18-/m1/s1