1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Openeye Name: 1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone CAS Name: 1-[4-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]ethoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Traditional Name: 1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C17H25NO2/c1-13-10-14(2)12-18(11-13)8-9-20-17-6-4-16(5-7-17)15(3)19/h4-7,13-14H,8-12H2,1-3H3/p+1/t13-,14-/m1/s1