4-[4-[2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]butan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-18(25)7-8-19-9-11-21(12-10-19)26-16-15-24-14-3-2-6-22(24)20-5-4-13-23-17-20/h4-5,9-13,17,22H,2-3,6-8,14-16H2,1H3/p+1/t22-/m1/s1