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

Systemtic Name: [2-(hydroxymethyl)-5-methoxy-6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-2-yl]methanol Openeye Name: [2-(hydroxymethyl)-5-methoxy-6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-2-yl]methanol CAS Name: [2-(hydroxymethyl)-5-methoxy-6-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]-1,3-benzodioxol-2-yl]methanol IUPAC Name: [2-(hydroxymethyl)-5-methoxy-6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-2-yl]methanol Traditional Name: [5-methoxy-6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-2-methylol-1,3-benzodioxol-2-yl]methanol Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OC)OC(O3)(CO)CO

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OC)OC(O3)(CO)CO

InChI

InChI=1S/C16H22N3O5/c1-18-5-6-19(11-18)4-3-17-12-7-14-15(8-13(12)22-2)24-16(9-20,10-21)23-14/h5-8,11,17,20-21H,3-4,9-10H2,1-2H3/q+1