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

Systemtic Name: 4-bromanyl-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O

InChI

InChI=1S/C20H20BrN3O2/c1-14-4-2-5-15(12-14)23-10-8-22(9-11-23)13-24-17-7-3-6-16(21)18(17)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3/p+1