1-[3-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[3-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Openeye Name: 1-[3-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]phenyl]ethanone CAS Name: 1-[3-[2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]ethoxy]phenyl]ethanone IUPAC Name: 1-[3-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Traditional Name: 1-[3-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-16(23)17-6-4-8-19(14-17)24-13-12-22-11-3-2-9-20(22)18-7-5-10-21-15-18/h4-8,10,14-15,20H,2-3,9,11-13H2,1H3/p+1/t20-/m0/s1