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

Systemtic Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine Openeye Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine CAS Name: 6-[3-(3-methyl-1-imidazol-3-iumyl)propoxy]-1,3-benzodioxol-5-amine IUPAC Name: 6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-amine Traditional Name: [6-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-1,3-benzodioxol-5-yl]amine Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N3O3/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/q+1