6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine chloride

Systemtic Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine chloride Openeye Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine chloride CAS Name: 6-[3-(3-methyl-1-imidazol-3-iumyl)propoxy]-1,3-benzodioxol-5-amine chloride IUPAC Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine chloride Traditional Name: [6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-yl]amine chloride Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCOC2=CC3=C(C=C2N)OCO3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCOC2=CC3=C(C=C2N)OCO3.[Cl-]

InChI

InChI=1S/C14H18N3O3.ClH/c1-16-4-5-17(9-16)3-2-6-18-12-8-14-13(7-11(12)15)19-10-20-14;/h4-5,7-9H,2-3,6,10,15H2,1H3;1H/q+1;/p-1