3-[(2S)-1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[2-(2-methoxy-4-propylphenoxy)ethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[2-(2-methoxy-4-propylphenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-2-yl]pyridine Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC[NH+]2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC[NH+]2CCCC[C@H]2C3=CN=CC=C3)OC

InChI

InChI=1S/C22H30N2O2/c1-3-7-18-10-11-21(22(16-18)25-2)26-15-14-24-13-5-4-9-20(24)19-8-6-12-23-17-19/h6,8,10-12,16-17,20H,3-5,7,9,13-15H2,1-2H3/p+1/t20-/m0/s1