ethyl 2-[(2R,3R)-3-phenyl-2-(1-phenylethenyl)-1-(phenylmethyl)azetidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2R,3R)-3-phenyl-2-(1-phenylethenyl)-1-(phenylmethyl)azetidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(2R,3R)-1-benzyl-3-phenyl-2-(1-phenylvinyl)azetidin-1-ium-1-yl]acetate CAS Name: 2-[(2R,3R)-3-phenyl-2-(1-phenylethenyl)-1-(phenylmethyl)-1-azetidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,3R)-1-benzyl-3-phenyl-2-(1-phenylethenyl)azetidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R,3R)-1-benzyl-3-phenyl-2-(1-phenylvinyl)azetidin-1-ium-1-yl]acetic acid ethyl ester Formula: C28H30NO2+ MolecularWeight: 412.5433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CC(C1C(=C)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C[N+]1(C[C@H]([C@@H]1C(=C)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H30NO2/c1-3-31-27(30)21-29(19-23-13-7-4-8-14-23)20-26(25-17-11-6-12-18-25)28(29)22(2)24-15-9-5-10-16-24/h4-18,26,28H,2-3,19-21H2,1H3/q+1/t26-,28-,29?/m0/s1