ethyl (2S)-1-(3-phenylpropyl)piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-(3-phenylpropyl)piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-(3-phenylpropyl)piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(3-phenylpropyl)-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(3-phenylpropyl)piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-phenylpropyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CCCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-2-20-17(19)16-12-6-7-13-18(16)14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3/p+1/t16-/m0/s1