(2S,3S,5S)-5-methoxycarbonyl-5-methyl-2-pyridin-3-yl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2S,3S,5S)-5-methoxycarbonyl-5-methyl-2-pyridin-3-yl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2S,3S,5S)-5-methoxycarbonyl-5-methyl-2-(3-pyridyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5S)-5-methoxycarbonyl-5-methyl-2-(3-pyridinyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,3S,5S)-5-methoxycarbonyl-5-methyl-2-pyridin-3-ylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5S)-5-carbomethoxy-5-methyl-2-(3-pyridyl)pyrrolidin-1-ium-3-carboxylate Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH2+]1)C2=CN=CC=C2)C(=O)[O-])C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@H]([NH2+]1)C2=CN=CC=C2)C(=O)[O-])C(=O)OC

InChI

InChI=1S/C13H16N2O4/c1-13(12(18)19-2)6-9(11(16)17)10(15-13)8-4-3-5-14-7-8/h3-5,7,9-10,15H,6H2,1-2H3,(H,16,17)/t9-,10+,13-/m0/s1