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

Systemtic Name: 1-[2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]propan-1-one Openeye Name: 1-[2-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]propan-1-one CAS Name: 1-[2-[4-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]butoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]propan-1-one Traditional Name: 1-[2-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]propan-1-one Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-2-22(26)20-11-3-4-13-23(20)27-17-8-7-16-25-15-6-5-12-21(25)19-10-9-14-24-18-19/h3-4,9-11,13-14,18,21H,2,5-8,12,15-17H2,1H3/p+1/t21-/m1/s1