(1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carbonitrile

Systemtic Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carbonitrile Openeye Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carbonitrile CAS Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]-2-azetidin-1-iumcarbonitrile IUPAC Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carbonitrile Traditional Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carbonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2(CCC2C#N)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N@@+]2(CC[C@H]2C#N)C

InChI

InChI=1S/C13H17N2/c1-11(12-6-4-3-5-7-12)15(2)9-8-13(15)10-14/h3-7,11,13H,8-9H2,1-2H3/q+1/t11-,13-,15-/m0/s1