6-(piperidin-1-ium-1-ylmethyl)-1,3-benzodioxol-5-ol

Systemtic Name: 6-(piperidin-1-ium-1-ylmethyl)-1,3-benzodioxol-5-ol Openeye Name: 6-(piperidin-1-ium-1-ylmethyl)-1,3-benzodioxol-5-ol CAS Name: 6-(1-piperidin-1-iumylmethyl)-1,3-benzodioxol-5-ol IUPAC Name: 6-(piperidin-1-ium-1-ylmethyl)-1,3-benzodioxol-5-ol Traditional Name: 6-(piperidin-1-ium-1-ylmethyl)sesamol Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C13H17NO3/c15-11-7-13-12(16-9-17-13)6-10(11)8-14-4-2-1-3-5-14/h6-7,15H,1-5,8-9H2/p+1