4,6-dimethyl-1-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4,6-dimethyl-1-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 4,6-dimethyl-1-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 4,6-dimethyl-1-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 4,6-dimethyl-1-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-isatin Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)C(C)C)C

InChI

InChI=1S/C19H25N3O3/c1-12(2)18(24)21-7-5-20(6-8-21)11-22-15-10-13(3)9-14(4)16(15)17(23)19(22)25/h9-10,12H,5-8,11H2,1-4H3/p+1