4-bromanyl-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione

Systemtic Name: 4-bromanyl-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 4-bromo-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 4-bromo-1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 4-bromo-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 4-bromo-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C20H20BrFN3O2+ MolecularWeight: 433.294103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F)Br

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C20H19BrFN3O2/c1-13-6-7-16-17(18(13)21)19(26)20(27)25(16)12-23-8-10-24(11-9-23)15-5-3-2-4-14(15)22/h2-7H,8-12H2,1H3/p+1