3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl(methyl)amino]propylazanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl(methyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]propylammonium CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-methylamino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-carbonyl(methyl)amino]propylammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH3+])C(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CN(CCC[NH3+])C(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H18N2O3/c1-15(6-2-5-14)13(16)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,2,5-8,14H2,1H3/p+1