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

Systemtic Name: 5-bromanyl-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-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=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

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

InChI

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