2-[2-[4-(1-decanoyl-6-fluoranyl-indazol-1-ium-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(1-decanoyl-6-fluoranyl-indazol-1-ium-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1-decanoyl-6-fluoro-indazol-1-ium-1-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[6-fluoro-1-(1-oxodecyl)-1-indazol-1-iumyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1-decanoyl-6-fluoroindazol-1-ium-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(1-capryl-6-fluoro-indazol-1-ium-1-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C31H39FN5O3+ MolecularWeight: 548.671463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[N+]1(C2=C(C=CC(=C2)F)C=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCCC(=O)[N+]1(C2=C(C=CC(=C2)F)C=N1)N3CCN(CC3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H39FN5O3/c1-2-3-4-5-6-7-8-13-29(38)37(28-22-25(32)15-14-24(28)23-33-37)35-19-16-34(17-20-35)18-21-36-30(39)26-11-9-10-12-27(26)31(36)40/h9-12,14-15,22-23H,2-8,13,16-21H2,1H3/q+1