3-[(2R)-1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2R)-1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2R)-1-[2-(3-isopropylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2R)-1-[2-(3-propan-2-ylphenoxy)ethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2R)-1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2R)-1-[2-(3-isopropylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-17(2)18-7-5-9-20(15-18)24-14-13-23-12-4-3-10-21(23)19-8-6-11-22-16-19/h5-9,11,15-17,21H,3-4,10,12-14H2,1-2H3/p+1/t21-/m1/s1