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

Systemtic Name: ethyl 2-[(2S,3R)-2-ethenyl-3-phenyl-1-(phenylmethyl)azetidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(2S,3R)-1-benzyl-3-phenyl-2-vinyl-azetidin-1-ium-1-yl]acetate CAS Name: 2-[(2S,3R)-2-ethenyl-3-phenyl-1-(phenylmethyl)-1-azetidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,3R)-1-benzyl-2-ethenyl-3-phenylazetidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S,3R)-1-benzyl-3-phenyl-2-vinyl-azetidin-1-ium-1-yl]acetic acid ethyl ester Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CC(C1C=C)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[N+]1(C[C@H]([C@@H]1C=C)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26NO2/c1-3-21-20(19-13-9-6-10-14-19)16-23(21,17-22(24)25-4-2)15-18-11-7-5-8-12-18/h3,5-14,20-21H,1,4,15-17H2,2H3/q+1/t20-,21-,23?/m0/s1