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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(phenethylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(phenethylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(phenethylamino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(phenethylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(phenethylamino)ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c19-15(17-9-8-13-5-2-1-3-6-13)12-18-10-4-7-14(11-18)16(20)21/h1-3,5-6,14H,4,7-12H2,(H,17,19)(H,20,21)/t14-/m0/s1