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

Systemtic Name: 1-[3-[2-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Openeye Name: 1-[3-[2-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone CAS Name: 1-[3-[2-[2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]ethoxy]ethoxy]phenyl]ethanone IUPAC Name: 1-[3-[2-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Traditional Name: 1-[3-[2-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-18(25)19-6-4-8-21(16-19)27-15-14-26-13-12-24-11-3-2-9-22(24)20-7-5-10-23-17-20/h4-8,10,16-17,22H,2-3,9,11-15H2,1H3/p+1/t22-/m0/s1