ethyl (2S,4S)-4-ethylpyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S,4S)-4-ethylpyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl (2S,4S)-4-ethylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-ethyl-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S)-4-ethylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-ethylpyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C9H18NO2+ MolecularWeight: 172.24472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC([NH2+]C1)C(=O)OCC

Isomeric SMILES

CC[C@H]1C[C@H]([NH2+]C1)C(=O)OCC

InChI

InChI=1S/C9H17NO2/c1-3-7-5-8(10-6-7)9(11)12-4-2/h7-8,10H,3-6H2,1-2H3/p+1/t7-,8-/m0/s1