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

Systemtic Name: 5-bromanyl-1-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C20H21BrN3O3+ MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C20H20BrN3O3/c1-27-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-24-16-7-6-14(21)12-15(16)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3/p+1