2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-furoyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H23N3O4/c25-19-16-6-1-2-7-17(16)20(26)24(19)10-4-3-9-22-11-13-23(14-12-22)21(27)18-8-5-15-28-18/h1-2,5-8,15H,3-4,9-14H2/p+1