ethyl (3S)-1-[2-[2-(2-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(2-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(2-bromobenzoyl)hydrazino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(2-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[N'-(2-bromobenzoyl)hydrazino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23BrN3O4+ MolecularWeight: 413.28622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NNC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H22BrN3O4/c1-2-25-17(24)12-6-5-9-21(10-12)11-15(22)19-20-16(23)13-7-3-4-8-14(13)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,22)(H,20,23)/p+1/t12-/m0/s1