ethyl (2R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-ethylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(4-ethylbenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCCC2C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCCC[C@@H]2C(=O)OCC

InChI

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