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

Systemtic Name: 2-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-cyclopentyl-1-piperazin-4-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H23N3O2/c22-17-15-7-3-4-8-16(15)18(23)21(17)13-19-9-11-20(12-10-19)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2/p+1