2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindoline-1,3-quinone Formula: C20H23N3O2+2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+2