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

Systemtic Name: (3S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-phenoxyphenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-phenoxybenzyl)piperidin-1-ium-3-carboxylate Formula: C19H21NO3 MolecularWeight: 311.37494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H21NO3/c21-19(22)16-7-5-11-20(14-16)13-15-6-4-10-18(12-15)23-17-8-2-1-3-9-17/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,21,22)/t16-/m0/s1