6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]sesamol Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C15H21NO3/c1-2-12-5-3-4-6-16(12)9-11-7-14-15(8-13(11)17)19-10-18-14/h7-8,12,17H,2-6,9-10H2,1H3/p+1/t12-/m0/s1