3-[(2R)-1-[2-(4-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2R)-1-[2-(4-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2R)-1-[2-(4-isopropoxyphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2R)-1-[2-(4-propan-2-yloxyphenoxy)ethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2R)-1-[2-(4-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2R)-1-[2-(4-isopropoxyphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-17(2)25-20-10-8-19(9-11-20)24-15-14-23-13-4-3-7-21(23)18-6-5-12-22-16-18/h5-6,8-12,16-17,21H,3-4,7,13-15H2,1-2H3/p+1/t21-/m1/s1