ethyl (1R,2R,3R)-1-methyl-3-phenyl-1-(phenylmethyl)azetidin-1-ium-2-carboxylate

Systemtic Name: ethyl (1R,2R,3R)-1-methyl-3-phenyl-1-(phenylmethyl)azetidin-1-ium-2-carboxylate Openeye Name: ethyl (1R,2R,3R)-1-benzyl-1-methyl-3-phenyl-azetidin-1-ium-2-carboxylate CAS Name: (1R,2R,3R)-1-methyl-3-phenyl-1-(phenylmethyl)-2-azetidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3R)-1-benzyl-1-methyl-3-phenylazetidin-1-ium-2-carboxylate Traditional Name: (1R,2R,3R)-1-benzyl-1-methyl-3-phenyl-azetidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C[N+]1(C)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO2/c1-3-23-20(22)19-18(17-12-8-5-9-13-17)15-21(19,2)14-16-10-6-4-7-11-16/h4-13,18-19H,3,14-15H2,1-2H3/q+1/t18-,19+,21-/m0/s1