ethyl (2S)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(2,2-diphenylethyl)-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-2-25-22(24)21-15-9-10-16-23(21)17-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20-21H,2,9-10,15-17H2,1H3/p+1/t21-/m0/s1