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

Systemtic Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O)C

InChI

InChI=1S/C21H23N3O2/c1-15-6-5-9-18(16(15)2)23-12-10-22(11-13-23)14-24-19-8-4-3-7-17(19)20(25)21(24)26/h3-9H,10-14H2,1-2H3/p+1