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

Systemtic Name: 2-[(2S)-1-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methylol-benzyl)piperidin-1-ium-2-yl]ethanol Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCC2CCO)CO

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC[C@H]2CCO)CO

InChI

InChI=1S/C16H25NO3/c1-20-16-6-5-13(10-14(16)12-19)11-17-8-3-2-4-15(17)7-9-18/h5-6,10,15,18-19H,2-4,7-9,11-12H2,1H3/p+1/t15-/m0/s1