2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethanol Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C[NH+]3CCCCC3CCO)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C[NH+]3CCCC[C@H]3CCO)OCO2

InChI

InChI=1S/C16H23NO4/c1-19-14-9-16-15(20-11-21-16)8-12(14)10-17-6-3-2-4-13(17)5-7-18/h8-9,13,18H,2-7,10-11H2,1H3/p+1/t13-/m0/s1