[(3R,5R)-1-tert-butyl-5-methyl-3-phenyl-piperidin-1-ium-3-yl] ethanoate

Systemtic Name: [(3R,5R)-1-tert-butyl-5-methyl-3-phenyl-piperidin-1-ium-3-yl] ethanoate Openeye Name: [(3R,5R)-1-tert-butyl-5-methyl-3-phenyl-piperidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3R,5R)-1-tert-butyl-5-methyl-3-phenyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R,5R)-1-tert-butyl-5-methyl-3-phenylpiperidin-1-ium-3-yl] acetate Traditional Name: acetic acid [(3R,5R)-1-tert-butyl-5-methyl-3-phenyl-piperidin-1-ium-3-yl] ester Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)(C)C)(C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

C[C@@H]1C[C@](C[NH+](C1)C(C)(C)C)(C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C18H27NO2/c1-14-11-18(21-15(2)20,16-9-7-6-8-10-16)13-19(12-14)17(3,4)5/h6-10,14H,11-13H2,1-5H3/p+1/t14-,18+/m1/s1