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

Systemtic Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol chloride Openeye Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol chloride CAS Name: 2-[[6-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol chloride IUPAC Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol chloride Traditional Name: 2-[[6-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-1,3-benzodioxol-5-yl]oxy]ethanol chloride Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N3O4.ClH/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;1H/q+1;/p-1