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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Traditional Name: (2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)-piperonyl-ammonium Formula: C24H18N3O3+ MolecularWeight: 396.41802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C3=NC(=NC4=C3OC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C24H17N3O3/c1-2-6-16(7-3-1)23-26-21-17-8-4-5-9-18(17)30-22(21)24(27-23)25-13-15-10-11-19-20(12-15)29-14-28-19/h1-12H,13-14H2,(H,25,26,27)/p+1