(4S)-4-pyrrolidin-1-ium-1-yl-4-thiophen-2-yl-butanoate

Systemtic Name: (4S)-4-pyrrolidin-1-ium-1-yl-4-thiophen-2-yl-butanoate Openeye Name: (4S)-4-pyrrolidin-1-ium-1-yl-4-(2-thienyl)butanoate CAS Name: (4S)-4-(1-pyrrolidin-1-iumyl)-4-thiophen-2-ylbutanoate IUPAC Name: (4S)-4-pyrrolidin-1-ium-1-yl-4-thiophen-2-ylbutanoate Traditional Name: (4S)-4-pyrrolidin-1-ium-1-yl-4-(2-thienyl)butyrate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c14-12(15)6-5-10(11-4-3-9-16-11)13-7-1-2-8-13/h3-4,9-10H,1-2,5-8H2,(H,14,15)/t10-/m0/s1