1,3-benzodioxol-5-ylmethyl([1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl([1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl(benzofuro[3,2-d]pyrimidin-4-yl)ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl(4-benzofuro[3,2-d]pyrimidinyl)ammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl([1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Traditional Name: benzofuro[3,2-d]pyrimidin-4-yl(piperonyl)ammonium chloride Formula: C18H14ClN3O3 MolecularWeight: 355.77506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]C3=NC=NC4=C3OC5=CC=CC=C54.[Cl-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C3=NC=NC4=C3OC5=CC=CC=C54.[Cl-]

InChI

InChI=1S/C18H13N3O3.ClH/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14;/h1-7,9H,8,10H2,(H,19,20,21);1H