[(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-yl]azanium Openeye Name: [(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-yl]ammonium CAS Name: [(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenyl-4-piperidin-1-iumyl]ammonium IUPAC Name: [(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenylpiperidin-1-ium-4-yl]azanium Traditional Name: [(2S,3R,4R)-4-cyano-1,3-dimethyl-2-phenyl-piperidin-1-ium-4-yl]ammonium Formula: C14H21N3+2 MolecularWeight: 231.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1(C#N)[NH3+])C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@H]([NH+](CC[C@@]1(C#N)[NH3+])C)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c1-11-13(12-6-4-3-5-7-12)17(2)9-8-14(11,16)10-15/h3-7,11,13H,8-9,16H2,1-2H3/p+2/t11-,13+,14+/m1/s1