(1R,2S,3S,4S)-1,4-dimethyl-3-phenyl-1-prop-2-enyl-azetidin-1-ium-2-carbonitrile

Systemtic Name: (1R,2S,3S,4S)-1,4-dimethyl-3-phenyl-1-prop-2-enyl-azetidin-1-ium-2-carbonitrile Openeye Name: (1R,2S,3S,4S)-1-allyl-1,4-dimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile CAS Name: (1R,2S,3S,4S)-1,4-dimethyl-3-phenyl-1-prop-2-enyl-2-azetidin-1-iumcarbonitrile IUPAC Name: (1R,2S,3S,4S)-1,4-dimethyl-3-phenyl-1-prop-2-enylazetidin-1-ium-2-carbonitrile Traditional Name: (1R,2S,3S,4S)-1-allyl-1,4-dimethyl-3-phenyl-azetidin-1-ium-2-carbonitrile Formula: C15H19N2+ MolecularWeight: 227.32476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N2/c1-4-10-17(3)12(2)15(14(17)11-16)13-8-6-5-7-9-13/h4-9,12,14-15H,1,10H2,2-3H3/q+1/t12-,14+,15+,17+/m0/s1