(2R,3S,4S)-1,1,4-trimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile

Systemtic Name: (2R,3S,4S)-1,1,4-trimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile Openeye Name: (2R,3S,4S)-1,1,4-trimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile CAS Name: (2R,3S,4S)-1,1,4-trimethyl-3-phenyl-2-azetidin-1-iumcarbonitrile IUPAC Name: (2R,3S,4S)-1,1,4-trimethyl-3-phenylazetidin-1-ium-2-carbonitrile Traditional Name: (2R,3S,4S)-1,1,4-trimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C([N+]1(C)C)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@@H]([C@@H]([N+]1(C)C)C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H17N2/c1-10-13(11-7-5-4-6-8-11)12(9-14)15(10,2)3/h4-8,10,12-13H,1-3H3/q+1/t10-,12-,13+/m0/s1