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

Systemtic Name: 2-[(2S,4R,5R)-4-(2-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethanenitrile Openeye Name: 2-[(2S,4R,5R)-4-(2-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]acetonitrile CAS Name: 2-[(2S,4R,5R)-4-(2-methoxyphenyl)-1,2,5-trimethyl-4-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[(2S,4R,5R)-4-(2-methoxyphenyl)-1,2,5-trimethylpiperidin-1-ium-4-yl]acetonitrile Traditional Name: 2-[(2S,4R,5R)-4-(2-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]acetonitrile Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(CC#N)C2=CC=CC=C2OC

Isomeric SMILES

C[C@H]1C[C@]([C@H](C[NH+]1C)C)(CC#N)C2=CC=CC=C2OC

InChI

InChI=1S/C17H24N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-7-5-6-8-16(15)20-4/h5-8,13-14H,9,11-12H2,1-4H3/p+1/t13-,14-,17-/m0/s1