2-[4-(4-cyclohexylpiperazine-1,4-diium-1-yl)but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-cyclohexylpiperazine-1,4-diium-1-yl)but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-cyclohexylpiperazine-1,4-diium-1-yl)but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-cyclohexyl-1-piperazine-1,4-diiumyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-cyclohexylpiperazine-1,4-diium-1-yl)but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-cyclohexylpiperazine-1,4-diium-1-yl)but-2-ynyl]isoindoline-1,3-quinone Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC[NH+](CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CC[NH+](CC2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H27N3O2/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,8-9,12-17H2/p+2