ethyl (E)-3-[(1R,2S,3R)-1-methyl-3-phenyl-1-(phenylmethyl)azetidin-1-ium-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(1R,2S,3R)-1-methyl-3-phenyl-1-(phenylmethyl)azetidin-1-ium-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(1R,2S,3R)-1-benzyl-1-methyl-3-phenyl-azetidin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[(1R,2S,3R)-1-methyl-3-phenyl-1-(phenylmethyl)-2-azetidin-1-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1R,2S,3R)-1-benzyl-1-methyl-3-phenylazetidin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[(1R,2S,3R)-1-benzyl-1-methyl-3-phenyl-azetidin-1-ium-2-yl]acrylic acid ethyl ester Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1C(C[N+]1(C)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/[C@H]1[C@@H](C[N@+]1(C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26NO2/c1-3-25-22(24)15-14-21-20(19-12-8-5-9-13-19)17-23(21,2)16-18-10-6-4-7-11-18/h4-15,20-21H,3,16-17H2,1-2H3/q+1/b15-14+/t20-,21-,23-/m0/s1