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

Systemtic Name: 3-[(2R)-1-[2-(3-methyl-5-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2R)-1-[2-(3-isopropyl-5-methyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2R)-1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2R)-1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2R)-1-[2-(3-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(=CC(=C1)OCC[NH+]2CCCCC2C3=CN=CC=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-17(2)20-13-18(3)14-21(15-20)25-12-11-24-10-5-4-8-22(24)19-7-6-9-23-16-19/h6-7,9,13-17,22H,4-5,8,10-12H2,1-3H3/p+1/t22-/m1/s1