5-fluoranyl-1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-fluoranyl-1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-fluoro-1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-fluoro-1-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 5-fluoro-1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-fluoro-1-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]isatin Formula: C21H24FN3O3+2 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

InChI

InChI=1S/C21H22FN3O3/c1-28-17-5-2-15(3-6-17)13-23-8-10-24(11-9-23)14-25-19-7-4-16(22)12-18(19)20(26)21(25)27/h2-7,12H,8-11,13-14H2,1H3/p+2