2-[2-[1-(6-fluoranylindazol-1-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-[1-(6-fluoranylindazol-1-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-isoindole-1,3-dione Openeye Name: 2-[2-[1-(6-fluoroindazol-1-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[1-(6-fluoro-1-indazolyl)-1-piperazin-1-iumyl]ethyl]-4-methylisoindole-1,3-dione IUPAC Name: 2-[2-[1-(6-fluoroindazol-1-yl)piperazin-1-ium-1-yl]ethyl]-4-methylisoindole-1,3-dione Traditional Name: 2-[2-[1-(6-fluoroindazol-1-yl)piperazin-1-ium-1-yl]ethyl]-4-methyl-isoindoline-1,3-quinone Formula: C22H23FN5O2+ MolecularWeight: 408.448723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)CC[N+]3(CCNCC3)N4C5=C(C=CC(=C5)F)C=N4

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)CC[N+]3(CCNCC3)N4C5=C(C=CC(=C5)F)C=N4

InChI

InChI=1S/C22H23FN5O2/c1-15-3-2-4-18-20(15)22(30)26(21(18)29)9-12-28(10-7-24-8-11-28)27-19-13-17(23)6-5-16(19)14-25-27/h2-6,13-14,24H,7-12H2,1H3/q+1