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

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-isatin Formula: C22H26FN3O3+2 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C22H24FN3O3/c1-15-3-5-19-18(11-15)21(27)22(28)26(19)14-25-9-7-24(8-10-25)13-16-12-17(23)4-6-20(16)29-2/h3-6,11-12H,7-10,13-14H2,1-2H3/p+2