ethyl (3S)-1-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(2-thenylamino)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)C(C)C(=O)NCC2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NCC2=CC=CS2

InChI

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