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

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2/c1-14-2-7-18-17(12-14)19(25)20(26)24(18)13-22-8-10-23(11-9-22)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3/p+1