3-[(2R)-1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2R)-1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2R)-1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2R)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2R)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2R)-1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C22H30N2O/c1-17(2)20-10-9-18(3)15-22(20)25-14-13-24-12-5-4-8-21(24)19-7-6-11-23-16-19/h6-7,9-11,15-17,21H,4-5,8,12-14H2,1-3H3/p+1/t21-/m1/s1