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

Systemtic Name: (4S)-4-piperidin-1-ium-1-yl-4-thiophen-2-yl-butanoate Openeye Name: (4S)-4-piperidin-1-ium-1-yl-4-(2-thienyl)butanoate CAS Name: (4S)-4-(1-piperidin-1-iumyl)-4-thiophen-2-ylbutanoate IUPAC Name: (4S)-4-piperidin-1-ium-1-yl-4-thiophen-2-ylbutanoate Traditional Name: (4S)-4-piperidin-1-ium-1-yl-4-(2-thienyl)butyrate Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H19NO2S/c15-13(16)7-6-11(12-5-4-10-17-12)14-8-2-1-3-9-14/h4-5,10-11H,1-3,6-9H2,(H,15,16)/t11-/m0/s1