ethyl (2S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-chlorophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-chlorobenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H21ClNO2+ MolecularWeight: 282.78574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClNO2/c1-2-19-15(18)14-5-3-4-10-17(14)11-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3/p+1/t14-/m0/s1