(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-(4-piperonylpiperazine-1,4-diium-1-yl)phthalide Formula: C20H22N2O4+2 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)[C@H]4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C20H20N2O4/c23-20-16-4-2-1-3-15(16)19(26-20)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11,19H,7-10,12-13H2/p+2/t19-/m1/s1