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

Systemtic Name: 1-[3-methoxy-4-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[4-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-18(26)19-10-11-22(23(16-19)27-2)28-15-6-5-14-25-13-4-3-9-21(25)20-8-7-12-24-17-20/h7-8,10-12,16-17,21H,3-6,9,13-15H2,1-2H3/p+1/t21-/m1/s1