ethyl (3S)-1-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-benzoylhydrazino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(benzoylhydrazo)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(N'-benzoylhydrazino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-2-24-17(23)14-9-6-10-20(11-14)12-15(21)18-19-16(22)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,21)(H,19,22)/p+1/t14-/m0/s1