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

Systemtic Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine Openeye Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine CAS Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine IUPAC Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine Traditional Name: [6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-yl]amine Formula: C13H16N3O3+ MolecularWeight: 262.28444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)N)OCCC[N+]3=CNC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)N)OCCC[N+]3=CNC=C3

InChI

InChI=1S/C13H15N3O3/c14-10-6-12-13(19-9-18-12)7-11(10)17-5-1-3-16-4-2-15-8-16/h2,4,6-8H,1,3,5,9,14H2/p+1