1-ethyl-1-(4-methyl-2-oxidanylidene-pentanethioyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-ethyl-1-(4-methyl-2-oxidanylidene-pentanethioyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-ethyl-1-(4-methyl-2-oxo-pentanethioyl)piperidin-1-ium-2-carboxylate CAS Name: 1-ethyl-1-(4-methyl-2-oxo-1-sulfanylidenepentyl)-2-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-(4-methyl-2-oxopentanethioyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-ethyl-1-(2-keto-4-methyl-pentanethioyl)piperidin-1-ium-2-carboxylate Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1C(=O)[O-])C(=S)C(=O)CC(C)C

Isomeric SMILES

CC[N+]1(CCCCC1C(=O)[O-])C(=S)C(=O)CC(C)C

InChI

InChI=1S/C14H23NO3S/c1-4-15(13(19)12(16)9-10(2)3)8-6-5-7-11(15)14(17)18/h10-11H,4-9H2,1-3H3