methyl (2S)-2-phenyl-2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethanoate Openeye Name: methyl (2S)-2-[[1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]acetate Traditional Name: (2S)-2-[[1-(3-benzoxybenzyl)piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C29H33N2O4+ MolecularWeight: 473.58332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-34-29(33)27(24-12-6-3-7-13-24)30-28(32)25-15-17-31(18-16-25)20-23-11-8-14-26(19-23)35-21-22-9-4-2-5-10-22/h2-14,19,25,27H,15-18,20-21H2,1H3,(H,30,32)/p+1/t27-/m0/s1