2-(furan-2-ylmethyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(furan-2-ylmethyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(2-furylmethyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-furanylmethyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(furan-2-ylmethyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-(2-furfuryl)-1,3-diketo-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]isoindoline-5-carboxamide Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

InChI

InChI=1S/C25H24N4O4/c1-27-10-12-28(13-11-27)22-7-3-2-6-21(22)26-23(30)17-8-9-19-20(15-17)25(32)29(24(19)31)16-18-5-4-14-33-18/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)/p+1