2-[7-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-oxidanylidene-heptyl]isoindole-1,3-dione chloride

Systemtic Name: 2-[7-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-oxidanylidene-heptyl]isoindole-1,3-dione chloride Openeye Name: 2-[7-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-oxo-heptyl]isoindoline-1,3-dione chloride CAS Name: 2-[7-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-7-oxoheptyl]isoindole-1,3-dione chloride IUPAC Name: 2-[7-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-oxoheptyl]isoindole-1,3-dione chloride Traditional Name: 2-[7-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-keto-heptyl]isoindoline-1,3-quinone chloride Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C21H29N3O4.ClH/c25-16-15-22-11-13-23(14-12-22)19(26)9-3-1-2-6-10-24-20(27)17-7-4-5-8-18(17)21(24)28;/h4-5,7-8,25H,1-3,6,9-16H2;1H