2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-pivaloylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC(C)(C)C(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H27N3O3/c1-23(2,3)22(29)25-13-10-24(11-14-25)12-15-26-20(27)17-8-4-6-16-7-5-9-18(19(16)17)21(26)28/h4-9H,10-15H2,1-3H3/p+1