ethyl (2S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-phenoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-phenoxybenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C21H26NO3+ MolecularWeight: 340.43604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-2-24-21(23)20-13-6-7-14-22(20)16-17-9-8-12-19(15-17)25-18-10-4-3-5-11-18/h3-5,8-12,15,20H,2,6-7,13-14,16H2,1H3/p+1/t20-/m0/s1