(2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-oxo-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-keto-2-(2-thienyl)nipecotate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(CCC1=O)C(=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)CCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C14H20N2O3S/c1-15(2)7-8-16-12(17)6-5-10(14(18)19)13(16)11-4-3-9-20-11/h3-4,9-10,13H,5-8H2,1-2H3,(H,18,19)/t10-,13+/m1/s1