2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]ethanenitrile

Systemtic Name: 2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]ethanenitrile Openeye Name: 2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]acetonitrile CAS Name: 2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-4-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl]acetonitrile Traditional Name: 2-[(2S,4R,5R)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]acetonitrile Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2/c1-13-12-18(3)14(2)11-16(13,9-10-17)15-7-5-4-6-8-15/h4-8,13-14H,9,11-12H2,1-3H3/p+1/t13-,14-,16-/m0/s1