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

Systemtic Name: 1-[3-methoxy-4-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]ethoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]ethoxy]phenyl]ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-16(24)17-8-9-20(21(14-17)25-2)26-13-12-23-11-4-3-7-19(23)18-6-5-10-22-15-18/h5-6,8-10,14-15,19H,3-4,7,11-13H2,1-2H3/p+1/t19-/m0/s1