(2S,4S,5R)-2,5-dimethyl-1-(2-methylpropyl)-4-phenyl-piperidin-1-ium-4-ol

Systemtic Name: (2S,4S,5R)-2,5-dimethyl-1-(2-methylpropyl)-4-phenyl-piperidin-1-ium-4-ol Openeye Name: (2S,4S,5R)-1-isobutyl-2,5-dimethyl-4-phenyl-piperidin-1-ium-4-ol CAS Name: (2S,4S,5R)-2,5-dimethyl-1-(2-methylpropyl)-4-phenyl-4-piperidin-1-iumol IUPAC Name: (2S,4S,5R)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol Traditional Name: (2S,4S,5R)-1-isobutyl-2,5-dimethyl-4-phenyl-piperidin-1-ium-4-ol Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-13(2)11-18-12-14(3)17(19,10-15(18)4)16-8-6-5-7-9-16/h5-9,13-15,19H,10-12H2,1-4H3/p+1/t14-,15+,17+/m1/s1