1-[3-methoxy-4-[3-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[3-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[3-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[3-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-[3-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[3-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-17(25)18-9-10-21(22(15-18)26-2)27-14-6-13-24-12-4-3-8-20(24)19-7-5-11-23-16-19/h5,7,9-11,15-16,20H,3-4,6,8,12-14H2,1-2H3/p+1/t20-/m1/s1