(2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]propanenitrile

Systemtic Name: (2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]propanenitrile Openeye Name: (2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]propanenitrile CAS Name: (2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethyl-4-piperidin-1-iumyl]propanenitrile IUPAC Name: (2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]propanenitrile Traditional Name: (2R)-3-phenyl-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]propionitrile Formula: C17H25N2+ MolecularWeight: 257.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)C(CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C[NH+]1C)C)[C@@H](CC2=CC=CC=C2)C#N

InChI

InChI=1S/C17H24N2/c1-13-12-19(3)14(2)9-17(13)16(11-18)10-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-10,12H2,1-3H3/p+1/t13-,14-,16-,17-/m0/s1