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

Systemtic Name: 1-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C19H18Cl2N3O2+ MolecularWeight: 391.27112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O2/c20-15-6-5-13(11-16(15)21)23-9-7-22(8-10-23)12-24-17-4-2-1-3-14(17)18(25)19(24)26/h1-6,11H,7-10,12H2/p+1