ethyl (2S)-2-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-[4-[hydroxy(diphenyl)methyl]-1-piperidin-1-iumyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2S)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-2-phenyl-acetic acid ethyl ester Formula: C28H32NO3+ MolecularWeight: 430.55858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C28H31NO3/c1-2-32-27(30)26(22-12-6-3-7-13-22)29-20-18-25(19-21-29)28(31,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-26,31H,2,18-21H2,1H3/p+1/t26-/m0/s1