ethyl (3S)-1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-amino-3-oxo-propyl)sulfonylethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3-amino-3-keto-propyl)sulfonylethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H25N2O5S+ MolecularWeight: 321.413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O5S/c1-2-20-13(17)11-4-3-6-15(10-11)7-9-21(18,19)8-5-12(14)16/h11H,2-10H2,1H3,(H2,14,16)/p+1/t11-/m0/s1