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

Systemtic Name: 2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c26-21-19-8-4-5-9-20(19)22(27)25(21)15-14-23-10-12-24(13-11-23)16-17-28-18-6-2-1-3-7-18/h1-9H,10-17H2/p+2