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

Systemtic Name: 2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C19H23N3O2S+2 MolecularWeight: 357.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CS4

InChI

InChI=1S/C19H21N3O2S/c23-18-16-5-1-2-6-17(16)19(24)22(18)12-11-20-7-9-21(10-8-20)14-15-4-3-13-25-15/h1-6,13H,7-12,14H2/p+2