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

Systemtic Name: 2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N3O3/c1-12(2)15(21)19-9-7-18(8-10-19)11-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-6,12H,7-11H2,1-2H3/p+1