(3R)-1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[2-(2-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(2-isopropylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-12(2)14-7-3-4-8-15(14)18-16(20)11-19-9-5-6-13(10-19)17(21)22/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1