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

Systemtic Name: (3R)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3H-isobenzofuran-1-one CAS Name: (3R)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3H-2-benzofuran-1-one Traditional Name: (3R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)phthalide Formula: C25H26N2O2+2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1C2C3=CC=CC=C3C(=O)O2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1[C@H]2C3=CC=CC=C3C(=O)O2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O2/c28-25-22-14-8-7-13-21(22)24(29-25)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23-24H,15-18H2/p+2/t24-/m1/s1