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

Systemtic Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol Openeye Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol CAS Name: 2-[[6-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol IUPAC Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol Traditional Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol Formula: C15H20N3O4+ MolecularWeight: 306.337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OCCO)OCO3

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OCCO)OCO3

InChI

InChI=1S/C15H20N3O4/c1-17-4-5-18(10-17)3-2-16-12-8-14-15(22-11-21-14)9-13(12)20-7-6-19/h4-5,8-10,16,19H,2-3,6-7,11H2,1H3/q+1