[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-homoveratrylpiperidin-1-ium-2-yl]methanol Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CCCCC2CO)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-9-4-3-5-14(17)12-18/h6-7,11,14,18H,3-5,8-10,12H2,1-2H3/p+1/t14-/m0/s1