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

Systemtic Name: 6-fluoranyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 6-fluoro-1-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 6-fluoro-1-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 6-fluoro-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 6-fluoro-1-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C21H24FN3O2+2 MolecularWeight: 369.432563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

InChI

InChI=1S/C21H22FN3O2/c1-15-4-2-3-5-16(15)13-23-8-10-24(11-9-23)14-25-19-12-17(22)6-7-18(19)20(26)21(25)27/h2-7,12H,8-11,13-14H2,1H3/p+2