2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-2-yl]ethanol Formula: C16H26NO2+ MolecularWeight: 264.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCCC2CCO)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCCC[C@H]2CCO)OC

InChI

InChI=1S/C16H25NO2/c1-13-11-14(6-7-16(13)19-2)12-17-9-4-3-5-15(17)8-10-18/h6-7,11,15,18H,3-5,8-10,12H2,1-2H3/p+1/t15-/m0/s1