6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-ol Openeye Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-ol CAS Name: 6-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]-1,3-benzodioxol-5-ol IUPAC Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-ol Traditional Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]sesamol Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C13H15N3O3/c1-15-4-5-16(8-15)3-2-14-10-6-12-13(7-11(10)17)19-9-18-12/h4-8,14H,2-3,9H2,1H3/p+1