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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

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