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

Systemtic Name: ethyl (2S)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-phenylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-phenylbenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-24-21(23)20-10-6-7-15-22(20)16-17-11-13-19(14-12-17)18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3/p+1/t20-/m0/s1