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

Systemtic Name: 1-[3-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[3-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone CAS Name: 1-[3-[4-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[3-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Traditional Name: 1-[3-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-18(25)19-8-6-10-21(16-19)26-15-5-4-14-24-13-3-2-11-22(24)20-9-7-12-23-17-20/h6-10,12,16-17,22H,2-5,11,13-15H2,1H3/p+1/t22-/m1/s1