ethyl (3S)-1-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)N[C@@H](C)C2=CC=CS2

InChI

InChI=1S/C16H24N2O3S/c1-3-21-16(20)13-6-4-8-18(10-13)11-15(19)17-12(2)14-7-5-9-22-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,17,19)/p+1/t12-,13-/m0/s1