6-fluoranyl-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 6-fluoranyl-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 6-fluoro-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 6-fluoro-1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 6-fluoro-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 6-fluoro-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C20H21FN3O3+ MolecularWeight: 370.397443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

InChI

InChI=1S/C20H20FN3O3/c1-27-16-5-3-15(4-6-16)23-10-8-22(9-11-23)13-24-18-12-14(21)2-7-17(18)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3/p+1