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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-20-18-8-4-5-9-19(18)21(26)24(20)15-14-22-10-12-23(13-11-22)16-17-6-2-1-3-7-17/h1-9H,10-16H2/p+2