ethyl (2R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2,5-dimethylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2,5-dimethylbenzyl)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+]1CC2=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-4-20-17(19)16-7-5-6-10-18(16)12-15-11-13(2)8-9-14(15)3/h8-9,11,16H,4-7,10,12H2,1-3H3/p+1/t16-/m1/s1