2-[4-[5-[(2S)-1-methylpiperidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol

Systemtic Name: 2-[4-[5-[(2S)-1-methylpiperidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol Openeye Name: 2-[4-[5-[(2S)-1-methylpiperidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol CAS Name: 2-[4-[5-[(2S)-1-methyl-2-piperidin-1-iumyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol IUPAC Name: 2-[4-[5-[(2S)-1-methylpiperidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol Traditional Name: 2-[4-[5-[(2S)-1-methylpiperidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C2=NC(=NO2)C3=CC=C(C=C3)CCO

Isomeric SMILES

C[NH+]1CCCC[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)CCO

InChI

InChI=1S/C16H21N3O2/c1-19-10-3-2-4-14(19)16-17-15(18-21-16)13-7-5-12(6-8-13)9-11-20/h5-8,14,20H,2-4,9-11H2,1H3/p+1/t14-/m0/s1