4-chloranyl-7-fluoranyl-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4-chloranyl-7-fluoranyl-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-chloro-7-fluoro-indoline-2,3-dione CAS Name: 4-chloro-7-fluoro-1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-chloro-7-fluoroindole-2,3-dione Traditional Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-chloro-7-fluoro-isatin Formula: C20H20ClFN3O2+ MolecularWeight: 388.843103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFN3O2/c21-15-6-7-16(22)18-17(15)19(26)20(27)25(18)13-24-10-8-23(9-11-24)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1