2-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3/c27-20(25-14-12-24(13-15-25)16-17-7-9-23-10-8-17)6-3-11-26-21(28)18-4-1-2-5-19(18)22(26)29/h1-2,4-5,7-10H,3,6,11-16H2/p+1