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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(benzylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(benzylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c18-14(16-9-12-5-2-1-3-6-12)11-17-8-4-7-13(10-17)15(19)20/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)/t13-/m0/s1