2-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H31N3O3/c27-21(11-10-18-6-2-1-3-7-18)25-15-12-24(13-16-25)14-17-26-22(28)19-8-4-5-9-20(19)23(26)29/h4-5,8-9,18H,1-3,6-7,10-17H2/p+1