4-[4-(furan-3-ylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(furan-3-ylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(3-furylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenylthiazol-2-yl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(3-furanylmethyl)-1-piperazin-4-iumyl]-2-[(4-phenyl-2-thiazolyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(furan-3-ylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(3-furfuryl)piperazin-4-ium-1-yl]-2-[(4-phenylthiazol-2-yl)methyl]isoindoline-1,3-quinone Formula: C27H25N4O3S+ MolecularWeight: 485.5774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC(=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC(=CS5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N4O3S/c32-26-21-7-4-8-23(30-12-10-29(11-13-30)15-19-9-14-34-17-19)25(21)27(33)31(26)16-24-28-22(18-35-24)20-5-2-1-3-6-20/h1-9,14,17-18H,10-13,15-16H2/p+1