(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1,2-diphenyl-ethanone

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1,2-diphenyl-ethanone Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1,2-diphenyl-ethanone CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1,2-diphenylethanone IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1,2-diphenylethanone Traditional Name: (2R)-1,2-diphenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C26H28N2O3+2 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)[C@H](C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3/c29-26(22-9-5-2-6-10-22)25(21-7-3-1-4-8-21)28-15-13-27(14-16-28)18-20-11-12-23-24(17-20)31-19-30-23/h1-12,17,25H,13-16,18-19H2/p+2/t25-/m1/s1