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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C20H20FN3O2/c21-16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)14-24-18-7-2-1-6-17(18)19(25)20(24)26/h1-7,12H,8-11,13-14H2/p+1