(2S)-1-(3-oxidanylidene-3-thiophen-2-yl-propyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-(3-oxidanylidene-3-thiophen-2-yl-propyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[3-oxo-3-(2-thienyl)propyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(3-oxo-3-thiophen-2-ylpropyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-(3-oxo-3-thiophen-2-ylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[3-keto-3-(2-thienyl)propyl]pyrrolidin-1-ium-2-carboxylate Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c14-10(11-4-2-8-17-11)5-7-13-6-1-3-9(13)12(15)16/h2,4,8-9H,1,3,5-7H2,(H,15,16)/t9-/m0/s1