1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-fluoroindole-2,3-dione Traditional Name: 6-fluoro-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]isatin Formula: C21H22FN3O4+2 MolecularWeight: 399.415483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=CC(=C5)F)C(=O)C4=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=CC(=C5)F)C(=O)C4=O

InChI

InChI=1S/C21H20FN3O4/c22-15-2-3-16-17(10-15)25(21(27)20(16)26)12-24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10H,5-8,11-13H2/p+2